N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C15H18N4O2 — CID 90564298

IUPACN-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1noc(C2CCCN2C(=O)NCc2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-11-17-14(21-18-11)13-8-5-9-19(13)15(20)16-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,20)
InChIKeyRKKIKULVHXLELD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.42
Rot. Bonds3

About N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 90564298) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID90564298
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1noc(C2CCCN2C(=O)NCc2ccccc2)n1
InChIInChI=1S/C15H18N4O2/c1-11-17-14(21-18-11)13-8-5-9-19(13)15(20)16-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,20)
InChIKeyRKKIKULVHXLELD-UHFFFAOYSA-N
XLogP2.42
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 5214054
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 125143048
(2S)-N-benzyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057942
(2S)-N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 95186545
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 126436597
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95057690
(2R)-N-benzyl-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301605
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
(2S)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126425990
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 90564019
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
(2S)-N-[(3-methoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057872

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 90564298) is N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is Cc1noc(C2CCCN2C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is RKKIKULVHXLELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-17-14(21-18-11)13-8-5-9-19(13)15(20)16-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,20).
What are the key properties of N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 90564298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).