3-propan-2-yl-2,1-benzoxazol-5-ol

C10H11NO2 — CID 105436782

IUPAC3-propan-2-yl-2,1-benzoxazol-5-ol
SMILESCC(C)c1onc2ccc(O)cc12
InChIInChI=1S/C10H11NO2/c1-6(2)10-8-5-7(12)3-4-9(8)11-13-10/h3-6,12H,1-2H3
InChIKeyMQBJFBWRNZPIDZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.66
Rot. Bonds1

About 3-propan-2-yl-2,1-benzoxazol-5-ol

3-propan-2-yl-2,1-benzoxazol-5-ol (PubChem CID 105436782) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-propan-2-yl-2,1-benzoxazol-5-ol.

Molecular Properties

Compound Name3-propan-2-yl-2,1-benzoxazol-5-ol
PubChem CID105436782
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-propan-2-yl-2,1-benzoxazol-5-ol
SMILESCC(C)c1onc2ccc(O)cc12
InChIInChI=1S/C10H11NO2/c1-6(2)10-8-5-7(12)3-4-9(8)11-13-10/h3-6,12H,1-2H3
InChIKeyMQBJFBWRNZPIDZ-UHFFFAOYSA-N
XLogP2.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-2,1-benzoxazol-5-ol 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 3-propan-2-yl-2,1-benzoxazol-5-ol?
The IUPAC name of 3-propan-2-yl-2,1-benzoxazol-5-ol (CID 105436782) is 3-propan-2-yl-2,1-benzoxazol-5-ol.
What is the SMILES notation for 3-propan-2-yl-2,1-benzoxazol-5-ol?
The canonical SMILES for 3-propan-2-yl-2,1-benzoxazol-5-ol is CC(C)c1onc2ccc(O)cc12.
What is the InChIKey of 3-propan-2-yl-2,1-benzoxazol-5-ol?
The InChIKey is MQBJFBWRNZPIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6(2)10-8-5-7(12)3-4-9(8)11-13-10/h3-6,12H,1-2H3.
What are the key properties of 3-propan-2-yl-2,1-benzoxazol-5-ol?
3-propan-2-yl-2,1-benzoxazol-5-ol has a molecular weight of 177.20 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,1-benzoxazol-5-ol is sourced from PubChem (CID 105436782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).