2,3-bis(4-methylphenyl)oxadiaziridine

C14H14N2O — CID 174939359

IUPAC2,3-bis(4-methylphenyl)oxadiaziridine
SMILESCc1ccc(-n2on2-c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14N2O/c1-11-3-7-13(8-4-11)15-16(17-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyIOFCFDUHJVECBO-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.48
Rot. Bonds2

About 2,3-bis(4-methylphenyl)oxadiaziridine

2,3-bis(4-methylphenyl)oxadiaziridine (PubChem CID 174939359) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)oxadiaziridine.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)oxadiaziridine
PubChem CID174939359
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2,3-bis(4-methylphenyl)oxadiaziridine
SMILESCc1ccc(-n2on2-c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14N2O/c1-11-3-7-13(8-4-11)15-16(17-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyIOFCFDUHJVECBO-UHFFFAOYSA-N
XLogP3.48
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-bis(4-methylphenyl)oxadiaziridine 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 2,3-bis(4-methylphenyl)oxadiaziridine?
The IUPAC name of 2,3-bis(4-methylphenyl)oxadiaziridine (CID 174939359) is 2,3-bis(4-methylphenyl)oxadiaziridine.
What is the SMILES notation for 2,3-bis(4-methylphenyl)oxadiaziridine?
The canonical SMILES for 2,3-bis(4-methylphenyl)oxadiaziridine is Cc1ccc(-n2on2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methylphenyl)oxadiaziridine?
The InChIKey is IOFCFDUHJVECBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-3-7-13(8-4-11)15-16(17-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 2,3-bis(4-methylphenyl)oxadiaziridine?
2,3-bis(4-methylphenyl)oxadiaziridine has a molecular weight of 226.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)oxadiaziridine is sourced from PubChem (CID 174939359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).