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

C19H19N3O2 — CID 665846

IUPACN-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccccc3C)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-7-9-15(10-8-13)19-21-18(24-22-19)12-11-17(23)20-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyZMQBFGCMHBTLEU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.92
Rot. Bonds5

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

N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 665846) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID665846
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccccc3C)n2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-7-9-15(10-8-13)19-21-18(24-22-19)12-11-17(23)20-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyZMQBFGCMHBTLEU-UHFFFAOYSA-N
XLogP3.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 665846) is N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3C)n2)cc1.
What is the InChIKey of N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ZMQBFGCMHBTLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-7-9-15(10-8-13)19-21-18(24-22-19)12-11-17(23)20-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 321.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 665846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).