1,3-benzoxazol-5-ylmethanol

C8H7NO2 — CID 18388290

IUPAC1,3-benzoxazol-5-ylmethanol
SMILESOCc1ccc2ocnc2c1
InChIInChI=1S/C8H7NO2/c10-4-6-1-2-8-7(3-6)9-5-11-8/h1-3,5,10H,4H2
InChIKeyLBFSXNBYMXNZPM-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.32
Rot. Bonds1

About 1,3-benzoxazol-5-ylmethanol

1,3-benzoxazol-5-ylmethanol (PubChem CID 18388290) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 1,3-benzoxazol-5-ylmethanol.

Molecular Properties

Compound Name1,3-benzoxazol-5-ylmethanol
PubChem CID18388290
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name1,3-benzoxazol-5-ylmethanol
SMILESOCc1ccc2ocnc2c1
InChIInChI=1S/C8H7NO2/c10-4-6-1-2-8-7(3-6)9-5-11-8/h1-3,5,10H,4H2
InChIKeyLBFSXNBYMXNZPM-UHFFFAOYSA-N
XLogP1.32
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-5-ylmethanol?
The IUPAC name of 1,3-benzoxazol-5-ylmethanol (CID 18388290) is 1,3-benzoxazol-5-ylmethanol.
What is the SMILES notation for 1,3-benzoxazol-5-ylmethanol?
The canonical SMILES for 1,3-benzoxazol-5-ylmethanol is OCc1ccc2ocnc2c1.
What is the InChIKey of 1,3-benzoxazol-5-ylmethanol?
The InChIKey is LBFSXNBYMXNZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-4-6-1-2-8-7(3-6)9-5-11-8/h1-3,5,10H,4H2.
What are the key properties of 1,3-benzoxazol-5-ylmethanol?
1,3-benzoxazol-5-ylmethanol has a molecular weight of 149.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-5-ylmethanol is sourced from PubChem (CID 18388290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).