(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

C21H21ClN4O2 — CID 95057746

IUPAC(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C21H21ClN4O2/c22-17-9-4-8-16(14-17)19-24-20(28-25-19)18-10-5-13-26(18)21(27)23-12-11-15-6-2-1-3-7-15/h1-4,6-9,14,18H,5,10-13H2,(H,23,27)/t18-/m1/s1
InChIKeyCHVAOJPPVBQTFU-GOSISDBHSA-N
MW396.88 g/mol
LogP4.48
Rot. Bonds5

About (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 95057746) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID95057746
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C21H21ClN4O2/c22-17-9-4-8-16(14-17)19-24-20(28-25-19)18-10-5-13-26(18)21(27)23-12-11-15-6-2-1-3-7-15/h1-4,6-9,14,18H,5,10-13H2,(H,23,27)/t18-/m1/s1
InChIKeyCHVAOJPPVBQTFU-GOSISDBHSA-N
XLogP4.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-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

(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95116695
(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95057957
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 42765394
1-[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 813041
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813048
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813050
N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842
ethyl 2-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]amino]acetate
CID 3409666
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 3294802
(3-chlorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7225630
(4-chlorophenyl)-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 3650782
(2R)-N-benzyl-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 95057746) is (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is O=C(NCCc1ccccc1)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is CHVAOJPPVBQTFU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-17-9-4-8-16(14-17)19-24-20(28-25-19)18-10-5-13-26(18)21(27)23-12-11-15-6-2-1-3-7-15/h1-4,6-9,14,18H,5,10-13H2,(H,23,27)/t18-/m1/s1.
What are the key properties of (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95057746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).