(2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

C19H24N4O3 — CID 95057944

IUPAC(2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccccc1-c1noc([C@@H]2CCCN2C(=O)NC2CCCC2)n1
InChIInChI=1S/C19H24N4O3/c1-25-16-11-5-4-9-14(16)17-21-18(26-22-17)15-10-6-12-23(15)19(24)20-13-7-2-3-8-13/h4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeySUAZUXLYSYWHDZ-HNNXBMFYSA-N
MW356.43 g/mol
LogP3.53
Rot. Bonds4

About (2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

(2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 95057944) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID95057944
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccccc1-c1noc([C@@H]2CCCN2C(=O)NC2CCCC2)n1
InChIInChI=1S/C19H24N4O3/c1-25-16-11-5-4-9-14(16)17-21-18(26-22-17)15-10-6-12-23(15)19(24)20-13-7-2-3-8-13/h4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeySUAZUXLYSYWHDZ-HNNXBMFYSA-N
XLogP3.53
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclohexyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057885
(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 95057959
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 53039498
(2S)-N-benzyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057942
(2S)-N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057927
(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
N-(3,4-dimethylphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039469
(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95057957
N-(4-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039465
(2S)-N-(3-chlorophenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057888
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057910
N-(2,3-dimethylphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039468

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 95057944) is (2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)NC2CCCC2)n1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is SUAZUXLYSYWHDZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-25-16-11-5-4-9-14(16)17-21-18(26-22-17)15-10-6-12-23(15)19(24)20-13-7-2-3-8-13/h4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
(2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95057944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).