2,4-dimethyl-3-phenyl-1,2-oxazol-5-one

C11H11NO2 — CID 604974

IUPAC2,4-dimethyl-3-phenyl-1,2-oxazol-5-one
SMILESCc1c(-c2ccccc2)n(C)oc1=O
InChIInChI=1S/C11H11NO2/c1-8-10(12(2)14-11(8)13)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyOGRTWGJEVRYIIT-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.95
Rot. Bonds1

About 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one

2,4-dimethyl-3-phenyl-1,2-oxazol-5-one (PubChem CID 604974) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name2,4-dimethyl-3-phenyl-1,2-oxazol-5-one
PubChem CID604974
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2,4-dimethyl-3-phenyl-1,2-oxazol-5-one
SMILESCc1c(-c2ccccc2)n(C)oc1=O
InChIInChI=1S/C11H11NO2/c1-8-10(12(2)14-11(8)13)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyOGRTWGJEVRYIIT-UHFFFAOYSA-N
XLogP1.95
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxyphenyl)-2,4-dimethyl-1,2-oxazol-5-one
CID 84722008
3-(4-acetylphenyl)-2,4-dimethyl-1,2-oxazol-5-one
CID 84726388
2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681217
2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681208
N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681169
2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681149
N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681224
1-(3-chloropropyl)-4-methyl-5-phenylimidazole
CID 10059954
N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681249
2-methyl-1,3-diphenylisoindole
CID 3710956
2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one
CID 71429390

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one (CID 604974) is 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one is Cc1c(-c2ccccc2)n(C)oc1=O.
What is the InChIKey of 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one?
The InChIKey is OGRTWGJEVRYIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-10(12(2)14-11(8)13)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one?
2,4-dimethyl-3-phenyl-1,2-oxazol-5-one has a molecular weight of 189.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 604974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).