N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H19N3O2 — CID 667320

IUPACN-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1cccc(-c2noc(CCC(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C19H19N3O2/c1-14-6-5-9-16(12-14)19-21-18(24-22-19)11-10-17(23)20-13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyVEVPOVCDKNRJIU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.29
Rot. Bonds6

About N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 667320) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID667320
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1cccc(-c2noc(CCC(=O)NCc3ccccc3)n2)c1
InChIInChI=1S/C19H19N3O2/c1-14-6-5-9-16(12-14)19-21-18(24-22-19)11-10-17(23)20-13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyVEVPOVCDKNRJIU-UHFFFAOYSA-N
XLogP3.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-Trifluoro-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]butan-1-one
CID 56945951
4-[3-(Naphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidine
CID 62715191
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 665654
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
CID 1860472
N-cyclopentyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1945989
N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2983721
N-cyclopentyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 3160269
N-cyclohexyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160344
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9266827
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
CID 1250477
(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide
CID 16748676
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 667320) is N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1cccc(-c2noc(CCC(=O)NCc3ccccc3)n2)c1.
What is the InChIKey of N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is VEVPOVCDKNRJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-6-5-9-16(12-14)19-21-18(24-22-19)11-10-17(23)20-13-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 321.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 667320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).