4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide

C15H18N4O2 — CID 90164466

IUPAC4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
SMILESCc1nc(-c2ccc(C(=O)N[C@@H]3CCN(C)C3)cc2)no1
InChIInChI=1S/C15H18N4O2/c1-10-16-14(18-21-10)11-3-5-12(6-4-11)15(20)17-13-7-8-19(2)9-13/h3-6,13H,7-9H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyRWNIJQDRACFUJF-CYBMUJFWSA-N
MW286.34 g/mol
LogP1.48
Rot. Bonds3

About 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide

4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide (PubChem CID 90164466) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
PubChem CID90164466
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
SMILESCc1nc(-c2ccc(C(=O)N[C@@H]3CCN(C)C3)cc2)no1
InChIInChI=1S/C15H18N4O2/c1-10-16-14(18-21-10)11-3-5-12(6-4-11)15(20)17-13-7-8-19(2)9-13/h3-6,13H,7-9H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyRWNIJQDRACFUJF-CYBMUJFWSA-N
XLogP1.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
CID 50994059
N-[(2R)-1-(dipropylamino)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230790
(R)-N-(1-(benzyl(methyl)amino)propan-2-yl)-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CID 71230992
N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230799
(2S,3S)-3-{4-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895845
(R)-N-(1-(5-Azaspiro[2.5]octan-5-yl)propan-2-yl)-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CID 122669618
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamide
CID 16189892
4-(3-Butyl-[1,2,4]oxadiazol-5-yl)-N-(3,3-dimethyl-butyl)-benzamide
CID 9797557
N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 10386016
N-Cyclopropyl-6-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-3-carboxamide
CID 44580359
N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230767
Hdac4-IN-1
CID 71230837

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide (CID 90164466) is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide is Cc1nc(-c2ccc(C(=O)N[C@@H]3CCN(C)C3)cc2)no1.
What is the InChIKey of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
The InChIKey is RWNIJQDRACFUJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-16-14(18-21-10)11-3-5-12(6-4-11)15(20)17-13-7-8-19(2)9-13/h3-6,13H,7-9H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide has a molecular weight of 286.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 90164466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).