5-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
Basic information
- CAS
957312-71-9- Standard SMILES
Cc1c(-c2cc(C(=O)O)no2)cnn1C- InChIKey
NYHSVIQOOWQYNS-UHFFFAOYSA-N- Molecular formula
- C9H9N3O3
- Average molar mass
- 207.19 g/mol
- Monoisotopic mass
- 207.06439116
Names & identifiers
- Preferred name
- 5-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
- IUPAC
- 5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
- English name
- 5-(1,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid(SALTDATA: FREE)
- Molecular formula
- C9H9N3O3
- Molecular weight
- 207.19
Names & synonyms
5-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acidRefChem:528929103-326-2957312-71-95-(1,5-Dimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid5-(1,5-Dimethyl-1H-pyrazol-4-yl)-isoxazole-3-carboxylic acid5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acidMFCD049699815-(1,5-dimethylpyrazol-4-yl)isoxazole-3-carboxylic acid5-(1,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acidMLS000714068CHEMBL1543647
Show more names
3-Isoxazolecarboxylic acid, 5-(1,5-dimethyl-1H-pyrazol-4-yl)-5-(1,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid(SALTDATA: FREE)
SCHEMBL20507228DTXSID80390173HMS2630A17HNB31271SBB009538STK312228AKOS000310149BS-40121
Database identifiers
- CAS
957312-71-9- PubChem CID
- 3159574
- DTXSID
DTXSID80390173- ChEMBL
CHEMBL1543647- EC Number
- 103-326-2
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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