5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide

C9H12N2O3 — CID 66157356

IUPAC5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)C(C)NC(=O)c1cc(C)on1
InChIInChI=1S/C9H12N2O3/c1-5-4-8(11-14-5)9(13)10-6(2)7(3)12/h4,6H,1-3H3,(H,10,13)
InChIKeyMFMXDYBOQIOERK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.69
Rot. Bonds3

About 5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 66157356) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID66157356
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)C(C)NC(=O)c1cc(C)on1
InChIInChI=1S/C9H12N2O3/c1-5-4-8(11-14-5)9(13)10-6(2)7(3)12/h4,6H,1-3H3,(H,10,13)
InChIKeyMFMXDYBOQIOERK-UHFFFAOYSA-N
XLogP0.69
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 81004390
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155
5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478219
5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
CID 78790456
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 93054926
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 63888339

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide (CID 66157356) is 5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide is CC(=O)C(C)NC(=O)c1cc(C)on1.
What is the InChIKey of 5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is MFMXDYBOQIOERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-4-8(11-14-5)9(13)10-6(2)7(3)12/h4,6H,1-3H3,(H,10,13).
What are the key properties of 5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 196.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66157356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).