3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide

C15H17N3O3 — CID 75461414

IUPAC3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide
SMILESCNC(=O)C(NC(=O)c1c(C)noc1C)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-9-12(10(2)21-18-9)14(19)17-13(15(20)16-3)11-7-5-4-6-8-11/h4-8,13H,1-3H3,(H,16,20)(H,17,19)
InChIKeyPIHJFJGJBHUPIB-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.51
Rot. Bonds4

About 3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide (PubChem CID 75461414) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide
PubChem CID75461414
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide
SMILESCNC(=O)C(NC(=O)c1c(C)noc1C)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-9-12(10(2)21-18-9)14(19)17-13(15(20)16-3)11-7-5-4-6-8-11/h4-8,13H,1-3H3,(H,16,20)(H,17,19)
InChIKeyPIHJFJGJBHUPIB-UHFFFAOYSA-N
XLogP1.51
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetic acid
CID 28778678
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107314790
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
3,5-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,2-oxazole-4-carboxamide
CID 75459863
N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 47075853
N-(2-methoxy-2-phenylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 47187692
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548296
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 3632907
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide (CID 75461414) is 3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide is CNC(=O)C(NC(=O)c1c(C)noc1C)c1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is PIHJFJGJBHUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-12(10(2)21-18-9)14(19)17-13(15(20)16-3)11-7-5-4-6-8-11/h4-8,13H,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75461414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).