2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole

C9H13NO — CID 12575563

IUPAC2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESCc1nc2c(o1)CC(C)CC2
InChIInChI=1S/C9H13NO/c1-6-3-4-8-9(5-6)11-7(2)10-8/h6H,3-5H2,1-2H3
InChIKeyKBILXTRHXHSRJO-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.11
Rot. Bonds

About 2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole

2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 12575563) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole
PubChem CID12575563
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESCc1nc2c(o1)CC(C)CC2
InChIInChI=1S/C9H13NO/c1-6-3-4-8-9(5-6)11-7(2)10-8/h6H,3-5H2,1-2H3
InChIKeyKBILXTRHXHSRJO-UHFFFAOYSA-N
XLogP2.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-4,5,6,7-tetrahydro-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 2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The IUPAC name of 2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 12575563) is 2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole is Cc1nc2c(o1)CC(C)CC2.
What is the InChIKey of 2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The InChIKey is KBILXTRHXHSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-3-4-8-9(5-6)11-7(2)10-8/h6H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole?
2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 151.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 12575563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).