(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide

C18H16ClN5O2 — CID 45221148

IUPAC(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1
InChIInChI=1S/C18H16ClN5O2/c19-13-4-1-3-11(9-13)17-22-18(26-23-17)12-6-7-15(21-10-12)24-8-2-5-14(24)16(20)25/h1,3-4,6-7,9-10,14H,2,5,8H2,(H2,20,25)/t14-/m0/s1
InChIKeyZNWGLIMZGSFFKN-AWEZNQCLSA-N
MW369.81 g/mol
LogP2.91
Rot. Bonds4

About (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide

(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 45221148) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID45221148
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1
InChIInChI=1S/C18H16ClN5O2/c19-13-4-1-3-11(9-13)17-22-18(26-23-17)12-6-7-15(21-10-12)24-8-2-5-14(24)16(20)25/h1,3-4,6-7,9-10,14H,2,5,8H2,(H2,20,25)/t14-/m0/s1
InChIKeyZNWGLIMZGSFFKN-AWEZNQCLSA-N
XLogP2.91
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45226780
(2S,4R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidine-2-carboxamide
CID 120928920
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813050
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813048
(2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide
CID 95873563
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134031664
[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 129215030
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
CID 812500
(2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 56944421
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 4538482
(4-chlorophenyl)-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 3650782

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide (CID 45221148) is (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1.
What is the InChIKey of (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is ZNWGLIMZGSFFKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-13-4-1-3-11(9-13)17-22-18(26-23-17)12-6-7-15(21-10-12)24-8-2-5-14(24)16(20)25/h1,3-4,6-7,9-10,14H,2,5,8H2,(H2,20,25)/t14-/m0/s1.
What are the key properties of (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?
(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45221148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).