5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide

C17H19N3O3 — CID 96997695

IUPAC5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-20(2)17(22)15(12-6-4-3-5-7-12)18-16(21)13-10-14(23-19-13)11-8-9-11/h3-7,10-11,15H,8-9H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyBINMHVVAQGEUAT-HNNXBMFYSA-N
MW313.36 g/mol
LogP2.11
Rot. Bonds5

About 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 96997695) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
PubChem CID96997695
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-20(2)17(22)15(12-6-4-3-5-7-12)18-16(21)13-10-14(23-19-13)11-8-9-11/h3-7,10-11,15H,8-9H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyBINMHVVAQGEUAT-HNNXBMFYSA-N
XLogP2.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119197846
5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 42892858
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 43469491
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 71105657
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 159250793
N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130187969
5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 79252020
(3S)-3-(4-chlorophenyl)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 97184877
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243121

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide (CID 96997695) is 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide is CN(C)C(=O)[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccccc1.
What is the InChIKey of 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BINMHVVAQGEUAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20(2)17(22)15(12-6-4-3-5-7-12)18-16(21)13-10-14(23-19-13)11-8-9-11/h3-7,10-11,15H,8-9H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96997695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).