1,2-benzoxazol-7-ol;ethane

C9H11NO2 — CID 67834211

IUPAC1,2-benzoxazol-7-ol;ethane
SMILESCC.Oc1cccc2cnoc12
InChIInChI=1S/C7H5NO2.C2H6/c9-6-3-1-2-5-4-8-10-7(5)6;1-2/h1-4,9H;1-2H3
InChIKeyFKZRQMYZSXEVPO-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.56
Rot. Bonds

About 1,2-benzoxazol-7-ol;ethane

1,2-benzoxazol-7-ol;ethane (PubChem CID 67834211) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1,2-benzoxazol-7-ol;ethane.

Molecular Properties

Compound Name1,2-benzoxazol-7-ol;ethane
PubChem CID67834211
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1,2-benzoxazol-7-ol;ethane
SMILESCC.Oc1cccc2cnoc12
InChIInChI=1S/C7H5NO2.C2H6/c9-6-3-1-2-5-4-8-10-7(5)6;1-2/h1-4,9H;1-2H3
InChIKeyFKZRQMYZSXEVPO-UHFFFAOYSA-N
XLogP2.56
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazol-7-ol;ethane?
The IUPAC name of 1,2-benzoxazol-7-ol;ethane (CID 67834211) is 1,2-benzoxazol-7-ol;ethane.
What is the SMILES notation for 1,2-benzoxazol-7-ol;ethane?
The canonical SMILES for 1,2-benzoxazol-7-ol;ethane is CC.Oc1cccc2cnoc12.
What is the InChIKey of 1,2-benzoxazol-7-ol;ethane?
The InChIKey is FKZRQMYZSXEVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2.C2H6/c9-6-3-1-2-5-4-8-10-7(5)6;1-2/h1-4,9H;1-2H3.
What are the key properties of 1,2-benzoxazol-7-ol;ethane?
1,2-benzoxazol-7-ol;ethane has a molecular weight of 165.19 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazol-7-ol;ethane is sourced from PubChem (CID 67834211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).