3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide

C17H22N2O2 — CID 51088312

IUPAC3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(C)Cc1ccccc1C
InChIInChI=1S/C17H22N2O2/c1-5-15-16(13(4)21-19-15)17(20)18-12(3)10-14-9-7-6-8-11(14)2/h6-9,12H,5,10H2,1-4H3,(H,18,20)
InChIKeyPPVKVCFCNLCFQA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.21
Rot. Bonds5

About 3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 51088312) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID51088312
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(C)Cc1ccccc1C
InChIInChI=1S/C17H22N2O2/c1-5-15-16(13(4)21-19-15)17(20)18-12(3)10-14-9-7-6-8-11(14)2/h6-9,12H,5,10H2,1-4H3,(H,18,20)
InChIKeyPPVKVCFCNLCFQA-UHFFFAOYSA-N
XLogP3.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18775321
N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18090028
(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 95766310
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
3-ethyl-5-methyl-N-(1-naphthalen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18192523
3-ethyl-5-methyl-N-[(1S)-1-pyridin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 27233350
N-(2-benzylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8023443
2-(1,2-benzoxazol-3-yl)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 94618514
N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 42929290
3-ethyl-5-methyl-N-[(1R)-1-[(1R,2R)-2-phenylcyclopropyl]ethyl]-1,2-oxazole-4-carboxamide
CID 124732366
3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79255223
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 60668865

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide (CID 51088312) is 3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC(C)Cc1ccccc1C.
What is the InChIKey of 3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is PPVKVCFCNLCFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-15-16(13(4)21-19-15)17(20)18-12(3)10-14-9-7-6-8-11(14)2/h6-9,12H,5,10H2,1-4H3,(H,18,20).
What are the key properties of 3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51088312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).