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

C15H18N4O2 — CID 164633054

IUPAC(3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1nnc(N2CC[C@H](C(=O)NCc3ccccc3)C2)o1
InChIInChI=1S/C15H18N4O2/c1-11-17-18-15(21-11)19-8-7-13(10-19)14(20)16-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,20)/t13-/m0/s1
InChIKeySIQLOOIYCPOKLN-ZDUSSCGKSA-N
MW286.33 g/mol
LogP1.52
Rot. Bonds4

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

(3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 164633054) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID164633054
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1nnc(N2CC[C@H](C(=O)NCc3ccccc3)C2)o1
InChIInChI=1S/C15H18N4O2/c1-11-17-18-15(21-11)19-8-7-13(10-19)14(20)16-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,20)/t13-/m0/s1
InChIKeySIQLOOIYCPOKLN-ZDUSSCGKSA-N
XLogP1.52
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 155523831
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 2993497
[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 138105971
N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596433
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97149374
N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]benzamide
CID 137992026
2-[(2,5-Difluorophenyl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 175398398
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72909336
N-[(3-fluorophenyl)methyl]-5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 75445992
N-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 84596432
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203299
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203300

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide (CID 164633054) is (3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide is Cc1nnc(N2CC[C@H](C(=O)NCc3ccccc3)C2)o1.
What is the InChIKey of (3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is SIQLOOIYCPOKLN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-17-18-15(21-11)19-8-7-13(10-19)14(20)16-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide?
(3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 164633054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).