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

C22H22N4O3 — CID 92736433

IUPAC(3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)cc2)n1
InChIInChI=1S/C22H22N4O3/c1-15-23-22(29-25-15)17-7-9-19(10-8-17)24-21(28)18-13-20(27)26(14-18)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyIWNXTXHAWLWLAF-SFHVURJKSA-N
MW390.44 g/mol
LogP3.07
Rot. Bonds6

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

(3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 92736433) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is (3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID92736433
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name(3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)cc2)n1
InChIInChI=1S/C22H22N4O3/c1-15-23-22(29-25-15)17-7-9-19(10-8-17)24-21(28)18-13-20(27)26(14-18)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyIWNXTXHAWLWLAF-SFHVURJKSA-N
XLogP3.07
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-benzyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95740886
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 22051514
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51187342
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55468420
(3R)-5-oxo-1-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922412
N-(6-methoxy-3-pyridinyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51143040
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 16549275
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
(3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51965283
(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 92736433) is (3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1noc(-c2ccc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)cc2)n1.
What is the InChIKey of (3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is IWNXTXHAWLWLAF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-23-22(29-25-15)17-7-9-19(10-8-17)24-21(28)18-13-20(27)26(14-18)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,24,28)/t18-/m0/s1.
What are the key properties of (3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92736433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).