3-(1,3-benzoxazol-4-yl)propan-1-ol

C10H11NO2 — CID 117277496

IUPAC3-(1,3-benzoxazol-4-yl)propan-1-ol
SMILESOCCCc1cccc2ocnc12
InChIInChI=1S/C10H11NO2/c12-6-2-4-8-3-1-5-9-10(8)11-7-13-9/h1,3,5,7,12H,2,4,6H2
InChIKeyQJDNXFZHXXDIAH-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.75
Rot. Bonds3

About 3-(1,3-benzoxazol-4-yl)propan-1-ol

3-(1,3-benzoxazol-4-yl)propan-1-ol (PubChem CID 117277496) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-benzoxazol-4-yl)propan-1-ol
PubChem CID117277496
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-(1,3-benzoxazol-4-yl)propan-1-ol
SMILESOCCCc1cccc2ocnc12
InChIInChI=1S/C10H11NO2/c12-6-2-4-8-3-1-5-9-10(8)11-7-13-9/h1,3,5,7,12H,2,4,6H2
InChIKeyQJDNXFZHXXDIAH-UHFFFAOYSA-N
XLogP1.75
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-4-yl)propan-1-ol?
The IUPAC name of 3-(1,3-benzoxazol-4-yl)propan-1-ol (CID 117277496) is 3-(1,3-benzoxazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1,3-benzoxazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(1,3-benzoxazol-4-yl)propan-1-ol is OCCCc1cccc2ocnc12.
What is the InChIKey of 3-(1,3-benzoxazol-4-yl)propan-1-ol?
The InChIKey is QJDNXFZHXXDIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-2-4-8-3-1-5-9-10(8)11-7-13-9/h1,3,5,7,12H,2,4,6H2.
What are the key properties of 3-(1,3-benzoxazol-4-yl)propan-1-ol?
3-(1,3-benzoxazol-4-yl)propan-1-ol has a molecular weight of 177.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-4-yl)propan-1-ol is sourced from PubChem (CID 117277496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).