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

C14H16N4O2 — CID 61180590

IUPAC(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H16N4O2/c1-9-4-5-10(14-18-16-8-20-14)7-12(9)17-13(19)11-3-2-6-15-11/h4-5,7-8,11,15H,2-3,6H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyMMTVHQCGXJTMLL-NSHDSACASA-N
MW272.31 g/mol
LogP1.74
Rot. Bonds3

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

(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 61180590) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID61180590
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H16N4O2/c1-9-4-5-10(14-18-16-8-20-14)7-12(9)17-13(19)11-3-2-6-15-11/h4-5,7-8,11,15H,2-3,6H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyMMTVHQCGXJTMLL-NSHDSACASA-N
XLogP1.74
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 43706116
3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777906
2-amino-2-cyclopropyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867901
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47037614
trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 52525045
N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 103438990
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide (CID 61180590) is (2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide is Cc1ccc(-c2nnco2)cc1NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MMTVHQCGXJTMLL-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-4-5-10(14-18-16-8-20-14)7-12(9)17-13(19)11-3-2-6-15-11/h4-5,7-8,11,15H,2-3,6H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61180590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).