Basic information
- CAS
19519-45-0- Standard SMILES
Cc1nc(C(C)C)oc1C- InChIKey
OHMVVHYBMWXHSY-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Overview
4,5-Dimethyl-2-(1-methylethyl)oxazole is an oxazole.
Names & identifiers
- Preferred name
- 2-Isopropyl-4,5-dimethyloxazole
- IUPAC
- 4,5-dimethyl-2-propan-2-yl-1,3-oxazole
- English name
- 2-Isopropyl-4,5-dimethyloxazole
- Molecular formula
- C8H13NO
- Molecular weight
- 139.19492
Names & synonyms
2-ISOPROPYL-4,5-DIMETHYLOXAZOLE4,5-Dimethyl-2-isopropyloxazole19519-45-04,5-Dimethyl-2-(1-methylethyl)oxazole4,5-dimethyl-2-propan-2-yl-1,3-oxazoleOxazole, 4,5-dimethyl-2-(1-methylethyl)-4,5-dimethyl-2-(propan-2-yl)-1,3-oxazole2-iso-Propyl-4,5-dimethyloxazoleS9G44J4T9ESCHEMBL2600750DTXSID60173168CHEBI:179650
Show more names
OHMVVHYBMWXHSY-UHFFFAOYSA-N4,5-dimethyl-2-isopropyl oxazole2-Isopropyl-4,5-dimethyl-1,3-oxazole4,5-Dimethyl-2-(1-methylethyl)-Oxazole2-Isopropyl-4,5-dimethyl-1,3-oxazole #4,5-Dimethyl-2-(1-methylethyl)oxazole, 9CIQ63398317
Database identifiers
- CAS
19519-45-0- PubChem CID
- 29644
- DTXSID
DTXSID60173168- ChEBI
CHEBI:179650- UNII
- S9G44J4T9E
- Nikkaji
- J45.607A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
Boiling Point174.00 to 176.00 °C. @ 760.00 mm Hg
Physicochemical properties
- LogP
- 2.069 · 2.069 (est)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Upstream raw materials
Suppliers1 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Additional notes
DefinitionChEBI: 4,5-Dimethyl-2-(1-methylethyl)oxazole is an oxazole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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