5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile
Basic information
- CAS
887748-74-5- Standard SMILES
N#Cc1nc(Cc2ccccc2)oc1N- InChIKey
DCUCOAMWPAFMQZ-UHFFFAOYSA-N- Molecular formula
- C11H9N3O
- Average molar mass
- 199.21 g/mol
- Monoisotopic mass
- 199.07456192
Names & identifiers
- Preferred name
- 5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile
- IUPAC
- 5-amino-2-benzyl-1,3-oxazole-4-carbonitrile
- English name
- 4-Oxazolecarbonitrile, 5-amino-2-(phenylmethyl)-
- Molecular formula
- C11H9N3O
- Molecular weight
- 199.21
Names & synonyms
5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile887748-74-55-Azanyl-2-(Phenylmethyl)-1,3-Oxazole-4-CarbonitrileNSC685116CHEMBL1992036MKB74874AKOS023255813NSC-6851165-amino-2-benzyl-oxazole-4-carbonitrileNCGC00664038-01NCI60_030629EN300-298053
Show more names
4-Oxazolecarbonitrile, 5-amino-2-(phenylmethyl)-
Q27455945Z12626786715Q8
Database identifiers
- CAS
887748-74-5- PubChem CID
- 389296
- ChEMBL
CHEMBL1992036- EC Number
- 113-028-4
- Nikkaji
- J2.321.653A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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