2,5-dimethyl-1,3-benzoxazole

C9H9NO — CID 21884

IUPAC2,5-dimethyl-1,3-benzoxazole
SMILESCc1ccc2oc(C)nc2c1
InChIInChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3
InChIKeyXVQGFGKAPKEUFT-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.44
Rot. Bonds

About 2,5-dimethyl-1,3-benzoxazole

2,5-dimethyl-1,3-benzoxazole (PubChem CID 21884) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3-benzoxazole
PubChem CID21884
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2,5-dimethyl-1,3-benzoxazole
SMILESCc1ccc2oc(C)nc2c1
InChIInChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3
InChIKeyXVQGFGKAPKEUFT-UHFFFAOYSA-N
XLogP2.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-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 2,5-dimethyl-1,3-benzoxazole?
The IUPAC name of 2,5-dimethyl-1,3-benzoxazole (CID 21884) is 2,5-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 2,5-dimethyl-1,3-benzoxazole?
The canonical SMILES for 2,5-dimethyl-1,3-benzoxazole is Cc1ccc2oc(C)nc2c1.
What is the InChIKey of 2,5-dimethyl-1,3-benzoxazole?
The InChIKey is XVQGFGKAPKEUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3.
What are the key properties of 2,5-dimethyl-1,3-benzoxazole?
2,5-dimethyl-1,3-benzoxazole has a molecular weight of 147.18 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 21884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).