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

C22H21ClN4O4 — CID 97072987

IUPAC(3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1C[C@H](C(=O)NCc2noc(-c3ccccc3C)n2)CC1=O
InChIInChI=1S/C22H21ClN4O4/c1-13-5-3-4-6-16(13)22-25-19(26-31-22)11-24-21(29)14-9-20(28)27(12-14)17-10-15(23)7-8-18(17)30-2/h3-8,10,14H,9,11-12H2,1-2H3,(H,24,29)/t14-/m1/s1
InChIKeyPAXGBKSYFHBFRB-CQSZACIVSA-N
MW440.89 g/mol
LogP3.38
Rot. Bonds6

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

(3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97072987) has the molecular formula C22H21ClN4O4 and a molecular weight of 440.89 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97072987
Molecular FormulaC22H21ClN4O4
Molecular Weight440.89 g/mol
Exact Mass440.13
IUPAC Name(3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1C[C@H](C(=O)NCc2noc(-c3ccccc3C)n2)CC1=O
InChIInChI=1S/C22H21ClN4O4/c1-13-5-3-4-6-16(13)22-25-19(26-31-22)11-24-21(29)14-9-20(28)27(12-14)17-10-15(23)7-8-18(17)30-2/h3-8,10,14H,9,11-12H2,1-2H3,(H,24,29)/t14-/m1/s1
InChIKeyPAXGBKSYFHBFRB-CQSZACIVSA-N
XLogP3.38
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92589248
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 56558466
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 41156421
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55692250
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 55492788
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 55554296
(3R)-1-(2-methoxyphenyl)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92736354
(3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29127931

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 97072987) is (3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1C[C@H](C(=O)NCc2noc(-c3ccccc3C)n2)CC1=O.
What is the InChIKey of (3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PAXGBKSYFHBFRB-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21ClN4O4/c1-13-5-3-4-6-16(13)22-25-19(26-31-22)11-24-21(29)14-9-20(28)27(12-14)17-10-15(23)7-8-18(17)30-2/h3-8,10,14H,9,11-12H2,1-2H3,(H,24,29)/t14-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97072987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).