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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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).