(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide

C22H21N3O3 — CID 42477859

IUPAC(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)NCc3cc(-c4ccccc4)on3)CC2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-15-7-9-19(10-8-15)25-14-17(11-21(25)26)22(27)23-13-18-12-20(28-24-18)16-5-3-2-4-6-16/h2-10,12,17H,11,13-14H2,1H3,(H,23,27)/t17-/m0/s1
InChIKeyDYNIUXYAWIAMDK-KRWDZBQOSA-N
MW375.43 g/mol
LogP3.32
Rot. Bonds5

About (3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide

(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 42477859) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID42477859
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)NCc3cc(-c4ccccc4)on3)CC2=O)cc1
InChIInChI=1S/C22H21N3O3/c1-15-7-9-19(10-8-15)25-14-17(11-21(25)26)22(27)23-13-18-12-20(28-24-18)16-5-3-2-4-6-16/h2-10,12,17H,11,13-14H2,1H3,(H,23,27)/t17-/m0/s1
InChIKeyDYNIUXYAWIAMDK-KRWDZBQOSA-N
XLogP3.32
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16867081
1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 16866574
(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
1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16867459
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
(3S)-1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 33278455
(3S)-5-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97116016
3-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108745437
2-[4-[[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697880

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide (CID 42477859) is (3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide is Cc1ccc(N2C[C@@H](C(=O)NCc3cc(-c4ccccc4)on3)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is DYNIUXYAWIAMDK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-7-9-19(10-8-15)25-14-17(11-21(25)26)22(27)23-13-18-12-20(28-24-18)16-5-3-2-4-6-16/h2-10,12,17H,11,13-14H2,1H3,(H,23,27)/t17-/m0/s1.
What are the key properties of (3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide?
(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42477859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).