1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C17H19N3O3 — CID 113192503

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(=O)N(c3cc(C)on3)C2)cc1
InChIInChI=1S/C17H19N3O3/c1-11-3-5-13(6-4-11)9-18-17(22)14-8-16(21)20(10-14)15-7-12(2)23-19-15/h3-7,14H,8-10H2,1-2H3,(H,18,22)
InChIKeyLIHPFUCFZKUWMK-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.96
Rot. Bonds4

About 1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113192503) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113192503
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CC(=O)N(c3cc(C)on3)C2)cc1
InChIInChI=1S/C17H19N3O3/c1-11-3-5-13(6-4-11)9-18-17(22)14-8-16(21)20(10-14)15-7-12(2)23-19-15/h3-7,14H,8-10H2,1-2H3,(H,18,22)
InChIKeyLIHPFUCFZKUWMK-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192507
N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192494
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192481
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
1-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51149994
1-(2,6-diethylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113186866
N-(3,4-dichlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192655
N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192590
N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192666
1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 43013798
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17191897

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113192503) is 1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CNC(=O)C2CC(=O)N(c3cc(C)on3)C2)cc1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LIHPFUCFZKUWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-3-5-13(6-4-11)9-18-17(22)14-8-16(21)20(10-14)15-7-12(2)23-19-15/h3-7,14H,8-10H2,1-2H3,(H,18,22).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113192503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).