3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide

C17H19N3O3 — CID 46445645

IUPAC3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(=O)N3CCCC3)on2)cc1
InChIInChI=1S/C17H19N3O3/c1-12-4-6-13(7-5-12)14-10-15(23-19-14)17(22)18-11-16(21)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11H2,1H3,(H,18,22)
InChIKeyDXZAUPXLYBUZES-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.00
Rot. Bonds4

About 3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide

3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 46445645) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide
PubChem CID46445645
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(=O)N3CCCC3)on2)cc1
InChIInChI=1S/C17H19N3O3/c1-12-4-6-13(7-5-12)14-10-15(23-19-14)17(22)18-11-16(21)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11H2,1H3,(H,18,22)
InChIKeyDXZAUPXLYBUZES-UHFFFAOYSA-N
XLogP2.00
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262550
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262543
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9361796
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 100845880
N-[(3-hydroxycyclohexyl)methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 111460192
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 86980129
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38429477
[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38416794
4-[[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541889
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641
(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 46427191

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide (CID 46445645) is 3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCC(=O)N3CCCC3)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is DXZAUPXLYBUZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-4-6-13(7-5-12)14-10-15(23-19-14)17(22)18-11-16(21)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11H2,1H3,(H,18,22).
What are the key properties of 3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide?
3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46445645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).