2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole

C15H10N2O2 — CID 12074272

IUPAC2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole
SMILESC(=C1/Nc2ccccc2O1)\c1nc2ccccc2o1
InChIInChI=1S/C15H10N2O2/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-9,16H/b14-9-
InChIKeyXXJFOKYKFDXZST-ZROIWOOFSA-N
MW250.26 g/mol
LogP3.63
Rot. Bonds1

About 2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole

2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole (PubChem CID 12074272) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole
PubChem CID12074272
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole
SMILESC(=C1/Nc2ccccc2O1)\c1nc2ccccc2o1
InChIInChI=1S/C15H10N2O2/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-9,16H/b14-9-
InChIKeyXXJFOKYKFDXZST-ZROIWOOFSA-N
XLogP3.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole 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-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole?
The IUPAC name of 2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole (CID 12074272) is 2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole is C(=C1/Nc2ccccc2O1)\c1nc2ccccc2o1.
What is the InChIKey of 2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole?
The InChIKey is XXJFOKYKFDXZST-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H10N2O2/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-9,16H/b14-9-.
What are the key properties of 2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole?
2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole has a molecular weight of 250.26 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole is sourced from PubChem (CID 12074272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).