4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol

C8H11NO2 — CID 23006254

IUPAC4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol
SMILESOCc1noc2c1CCCC2
InChIInChI=1S/C8H11NO2/c10-5-7-6-3-1-2-4-8(6)11-9-7/h10H,1-5H2
InChIKeyCYPCPJLLNKCLRH-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.05
Rot. Bonds1

About 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol

4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol (PubChem CID 23006254) 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-3-ylmethanol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol
PubChem CID23006254
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol
SMILESOCc1noc2c1CCCC2
InChIInChI=1S/C8H11NO2/c10-5-7-6-3-1-2-4-8(6)11-9-7/h10H,1-5H2
InChIKeyCYPCPJLLNKCLRH-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol?
The IUPAC name of 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol (CID 23006254) is 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol?
The canonical SMILES for 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol is OCc1noc2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol?
The InChIKey is CYPCPJLLNKCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-5-7-6-3-1-2-4-8(6)11-9-7/h10H,1-5H2.
What are the key properties of 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol?
4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol has a molecular weight of 153.18 g/mol, XLogP of 1.05, 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-3-ylmethanol is sourced from PubChem (CID 23006254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).