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

C21H22N4O2 — CID 91905600

IUPACN-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H22N4O2/c26-21(22-13-11-16-7-3-1-4-8-16)25-14-12-18(15-25)19-23-20(27-24-19)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,26)
InChIKeyBPRRRNMCMAWRBX-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.48
Rot. Bonds5

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

N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 91905600) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID91905600
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H22N4O2/c26-21(22-13-11-16-7-3-1-4-8-16)25-14-12-18(15-25)19-23-20(27-24-19)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,26)
InChIKeyBPRRRNMCMAWRBX-UHFFFAOYSA-N
XLogP3.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 129416913
N-cyclohexyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905560
[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129416738
N-[(4-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905648
(4-methylthiadiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417924
[(3S)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 129418244
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53338100
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417268
(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019723
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 131893713
3-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-1,8-naphthyridin-2-one
CID 119102474
N-(2-phenylethyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carboxamide
CID 119060560

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (CID 91905600) is N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is O=C(NCCc1ccccc1)N1CCC(c2noc(-c3ccccc3)n2)C1.
What is the InChIKey of N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is BPRRRNMCMAWRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(22-13-11-16-7-3-1-4-8-16)25-14-12-18(15-25)19-23-20(27-24-19)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,26).
What are the key properties of N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91905600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).