N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide

C20H21N5O2 — CID 91905624

IUPACN-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC(c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C20H21N5O2/c26-20(22-12-9-15-6-2-1-3-7-15)25-13-10-16(14-25)18-23-19(27-24-18)17-8-4-5-11-21-17/h1-8,11,16H,9-10,12-14H2,(H,22,26)
InChIKeyWCKSCRDXBUBGME-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.87
Rot. Bonds5

About N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide

N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 91905624) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID91905624
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC(c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C20H21N5O2/c26-20(22-12-9-15-6-2-1-3-7-15)25-13-10-16(14-25)18-23-19(27-24-18)17-8-4-5-11-21-17/h1-8,11,16H,9-10,12-14H2,(H,22,26)
InChIKeyWCKSCRDXBUBGME-UHFFFAOYSA-N
XLogP2.87
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)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

2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
5Pam523
CID 46946406
4-(5-Pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155530687
2-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763880
3-Phenyl-5-(2-pyridyl)-1,2,4-oxadiazole
CID 851444
2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)-N-methylisonicotinamide
CID 10180091
3-(4-(5-(5-Isobutylpyridin-2-yl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
CID 11624780
5-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)-2-pyridinecarboxylic acid
CID 16748790
3-(3-Cyano-5-fluorophenyl)-5-(2-Pyridyl)-1,2,4-oxadiazole
CID 21942491
7-Phenyl-1-(5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl)-heptan-1-one
CID 24951156
(R)-3-amino-1-((S)-2-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 45487945

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (CID 91905624) is N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is O=C(NCCc1ccccc1)N1CCC(c2noc(-c3ccccn3)n2)C1.
What is the InChIKey of N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is WCKSCRDXBUBGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(22-12-9-15-6-2-1-3-7-15)25-13-10-16(14-25)18-23-19(27-24-18)17-8-4-5-11-21-17/h1-8,11,16H,9-10,12-14H2,(H,22,26).
What are the key properties of N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91905624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).