4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol

C8H11NO2 — CID 84649753

IUPAC4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol
SMILESOCC1CCc2oncc2C1
InChIInChI=1S/C8H11NO2/c10-5-6-1-2-8-7(3-6)4-9-11-8/h4,6,10H,1-3,5H2
InChIKeyYVLZGVZJSBKCCG-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.77
Rot. Bonds1

About 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol

4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol (PubChem CID 84649753) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol
PubChem CID84649753
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol
SMILESOCC1CCc2oncc2C1
InChIInChI=1S/C8H11NO2/c10-5-6-1-2-8-7(3-6)4-9-11-8/h4,6,10H,1-3,5H2
InChIKeyYVLZGVZJSBKCCG-UHFFFAOYSA-N
XLogP0.77
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol 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 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol?
The IUPAC name of 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol (CID 84649753) is 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol?
The canonical SMILES for 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol is OCC1CCc2oncc2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol?
The InChIKey is YVLZGVZJSBKCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-5-6-1-2-8-7(3-6)4-9-11-8/h4,6,10H,1-3,5H2.
What are the key properties of 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol?
4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol has a molecular weight of 153.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol is sourced from PubChem (CID 84649753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).