2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole

C19H17N3O — CID 18569305

IUPAC2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3ccccc3n2Cc2ccccc2C)o1
InChIInChI=1S/C19H17N3O/c1-13-7-3-4-9-16(13)12-22-17-10-6-5-8-15(17)11-18(22)19-21-20-14(2)23-19/h3-11H,12H2,1-2H3
InChIKeyVLYQCVAQZOPGCI-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.36
Rot. Bonds3

About 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole

2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole (PubChem CID 18569305) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
PubChem CID18569305
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3ccccc3n2Cc2ccccc2C)o1
InChIInChI=1S/C19H17N3O/c1-13-7-3-4-9-16(13)12-22-17-10-6-5-8-15(17)11-18(22)19-21-20-14(2)23-19/h3-11H,12H2,1-2H3
InChIKeyVLYQCVAQZOPGCI-UHFFFAOYSA-N
XLogP4.36
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole 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 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole (CID 18569305) is 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole is Cc1nnc(-c2cc3ccccc3n2Cc2ccccc2C)o1.
What is the InChIKey of 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole?
The InChIKey is VLYQCVAQZOPGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-7-3-4-9-16(13)12-22-17-10-6-5-8-15(17)11-18(22)19-21-20-14(2)23-19/h3-11H,12H2,1-2H3.
What are the key properties of 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole?
2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole has a molecular weight of 303.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 18569305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).