1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone

C18H17N3O2 — CID 99633329

IUPAC1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
SMILESCC(=O)c1ccccc1NCc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C18H17N3O2/c1-12-7-3-4-8-14(12)18-21-20-17(23-18)11-19-16-10-6-5-9-15(16)13(2)22/h3-10,19H,11H2,1-2H3
InChIKeyZQZHESFCDRFQGC-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.86
Rot. Bonds5

About 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone

1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone (PubChem CID 99633329) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
PubChem CID99633329
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
SMILESCC(=O)c1ccccc1NCc1nnc(-c2ccccc2C)o1
InChIInChI=1S/C18H17N3O2/c1-12-7-3-4-8-14(12)18-21-20-17(23-18)11-19-16-10-6-5-9-15(16)13(2)22/h3-10,19H,11H2,1-2H3
InChIKeyZQZHESFCDRFQGC-UHFFFAOYSA-N
XLogP3.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone (CID 99633329) is 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone is CC(=O)c1ccccc1NCc1nnc(-c2ccccc2C)o1.
What is the InChIKey of 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The InChIKey is ZQZHESFCDRFQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-3-4-8-14(12)18-21-20-17(23-18)11-19-16-10-6-5-9-15(16)13(2)22/h3-10,19H,11H2,1-2H3.
What are the key properties of 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone has a molecular weight of 307.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone is sourced from PubChem (CID 99633329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).