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

C15H18N4O2 — CID 102777906

IUPAC3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)C1NCCC1C
InChIInChI=1S/C15H18N4O2/c1-9-3-4-11(15-19-17-8-21-15)7-12(9)18-14(20)13-10(2)5-6-16-13/h3-4,7-8,10,13,16H,5-6H2,1-2H3,(H,18,20)
InChIKeyDQGXOYJNMXVZBG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.98
Rot. Bonds3

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

3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 102777906) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID102777906
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)C1NCCC1C
InChIInChI=1S/C15H18N4O2/c1-9-3-4-11(15-19-17-8-21-15)7-12(9)18-14(20)13-10(2)5-6-16-13/h3-4,7-8,10,13,16H,5-6H2,1-2H3,(H,18,20)
InChIKeyDQGXOYJNMXVZBG-UHFFFAOYSA-N
XLogP1.98
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 61180590
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 43706116
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779307
2-amino-2-cyclopropyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867901
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
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-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47037614
N-cyclopropyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 103438990
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide (CID 102777906) is 3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide is Cc1ccc(-c2nnco2)cc1NC(=O)C1NCCC1C.
What is the InChIKey of 3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DQGXOYJNMXVZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-3-4-11(15-19-17-8-21-15)7-12(9)18-14(20)13-10(2)5-6-16-13/h3-4,7-8,10,13,16H,5-6H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide?
3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102777906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).