2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide

C16H20N2O3 — CID 110681046

IUPAC2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1c(C)n(C)oc1=O
InChIInChI=1S/C16H20N2O3/c1-9(2)12-8-6-7-10(3)14(12)17-15(19)13-11(4)18(5)21-16(13)20/h6-9H,1-5H3,(H,17,19)
InChIKeyMKLOUXLGAZRFRU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.97
Rot. Bonds3

About 2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide

2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide (PubChem CID 110681046) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide
PubChem CID110681046
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1c(C)n(C)oc1=O
InChIInChI=1S/C16H20N2O3/c1-9(2)12-8-6-7-10(3)14(12)17-15(19)13-11(4)18(5)21-16(13)20/h6-9H,1-5H3,(H,17,19)
InChIKeyMKLOUXLGAZRFRU-UHFFFAOYSA-N
XLogP2.97
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681217
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600651
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
4-acetyl-3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 112789086
N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 18084160
6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 115496693
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide (CID 110681046) is 2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1c(C)n(C)oc1=O.
What is the InChIKey of 2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is MKLOUXLGAZRFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9(2)12-8-6-7-10(3)14(12)17-15(19)13-11(4)18(5)21-16(13)20/h6-9H,1-5H3,(H,17,19).
What are the key properties of 2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide?
2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).