N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide

C8H12N2O3 — CID 123418828

IUPACN-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1coc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-5(2)3-9-7(11)6-4-13-8(12)10-6/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyXJPWHMWPGUWWON-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.35
Rot. Bonds3

About N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide

N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide (PubChem CID 123418828) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide
PubChem CID123418828
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1coc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-5(2)3-9-7(11)6-4-13-8(12)10-6/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyXJPWHMWPGUWWON-UHFFFAOYSA-N
XLogP0.35
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 123755530
N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110848373
4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 142183525
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 110848394
2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3549380
N-(2-methylpropyl)-1-benzofuran-5-carboxamide
CID 171399931
2,3,4,6-tetramethyl-N-(2-methylpropyl)benzamide
CID 123912379
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide
CID 23967386
2-acetyl-3,4,5,6-tetramethyl-N-(2-methylpropyl)benzamide
CID 22946327
6-methyl-N-(2-methylpropyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 100639839

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide (CID 123418828) is N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide is CC(C)CNC(=O)c1coc(=O)[nH]1.
What is the InChIKey of N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide?
The InChIKey is XJPWHMWPGUWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(2)3-9-7(11)6-4-13-8(12)10-6/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide?
N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide has a molecular weight of 184.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123418828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).