(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C17H19N3O3 — CID 7220375

IUPAC(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)c1
InChIInChI=1S/C17H19N3O3/c1-10-4-5-11(2)14(6-10)20-9-13(8-16(20)21)17(22)18-15-7-12(3)23-19-15/h4-7,13H,8-9H2,1-3H3,(H,18,19,22)/t13-/m0/s1
InChIKeyFWCYLHIOLZMJTP-ZDUSSCGKSA-N
MW313.36 g/mol
LogP2.59
Rot. Bonds3

About (3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7220375) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7220375
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)c1
InChIInChI=1S/C17H19N3O3/c1-10-4-5-11(2)14(6-10)20-9-13(8-16(20)21)17(22)18-15-7-12(3)23-19-15/h4-7,13H,8-9H2,1-3H3,(H,18,19,22)/t13-/m0/s1
InChIKeyFWCYLHIOLZMJTP-ZDUSSCGKSA-N
XLogP2.59
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160102
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3164244
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576
(3R)-1-(2,5-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 9396685
1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 54792505
(3S)-1-(2,5-dimethylphenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102102
1-(2,5-dimethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 3160101
(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7371797
1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
CID 17151724
N-(2-bromophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151862
1-(2,5-dimethylphenyl)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 10216260
1-(2,5-dimethylphenyl)-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 10126481

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 7220375) is (3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)c1.
What is the InChIKey of (3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FWCYLHIOLZMJTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-4-5-11(2)14(6-10)20-9-13(8-16(20)21)17(22)18-15-7-12(3)23-19-15/h4-7,13H,8-9H2,1-3H3,(H,18,19,22)/t13-/m0/s1.
What are the key properties of (3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7220375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).