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

C23H23N3O4 — CID 16867081

IUPACN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(-c2cc(CNC(=O)C3CC(=O)N(c4ccc(C)cc4)C3)no2)c1
InChIInChI=1S/C23H23N3O4/c1-15-6-8-19(9-7-15)26-14-17(11-22(26)27)23(28)24-13-18-12-21(30-25-18)16-4-3-5-20(10-16)29-2/h3-10,12,17H,11,13-14H2,1-2H3,(H,24,28)
InChIKeyCOAYNDVNPMQMNZ-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.33
Rot. Bonds6

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

N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 16867081) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID16867081
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(-c2cc(CNC(=O)C3CC(=O)N(c4ccc(C)cc4)C3)no2)c1
InChIInChI=1S/C23H23N3O4/c1-15-6-8-19(9-7-15)26-14-17(11-22(26)27)23(28)24-13-18-12-21(30-25-18)16-4-3-5-20(10-16)29-2/h3-10,12,17H,11,13-14H2,1-2H3,(H,24,28)
InChIKeyCOAYNDVNPMQMNZ-UHFFFAOYSA-N
XLogP3.33
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 42477859
1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 16866574
1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16867459
(3S)-1-(4-fluorophenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 25409846
1-(3,4-dimethylphenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866705
(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25410147
1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866958
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 71797332
1-(3-methoxyphenyl)-5-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxamide
CID 122261972
(3S)-1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 33278455
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 16870154
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 47729955

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 16867081) is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(-c2cc(CNC(=O)C3CC(=O)N(c4ccc(C)cc4)C3)no2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is COAYNDVNPMQMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-15-6-8-19(9-7-15)26-14-17(11-22(26)27)23(28)24-13-18-12-21(30-25-18)16-4-3-5-20(10-16)29-2/h3-10,12,17H,11,13-14H2,1-2H3,(H,24,28).
What are the key properties of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16867081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).