2-(1,3-benzoxazol-6-yl)propan-1-ol

C10H11NO2 — CID 117277502

IUPAC2-(1,3-benzoxazol-6-yl)propan-1-ol
SMILESCC(CO)c1ccc2ncoc2c1
InChIInChI=1S/C10H11NO2/c1-7(5-12)8-2-3-9-10(4-8)13-6-11-9/h2-4,6-7,12H,5H2,1H3
InChIKeyKHKPULKLUFWOAZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.92
Rot. Bonds2

About 2-(1,3-benzoxazol-6-yl)propan-1-ol

2-(1,3-benzoxazol-6-yl)propan-1-ol (PubChem CID 117277502) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-yl)propan-1-ol
PubChem CID117277502
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(1,3-benzoxazol-6-yl)propan-1-ol
SMILESCC(CO)c1ccc2ncoc2c1
InChIInChI=1S/C10H11NO2/c1-7(5-12)8-2-3-9-10(4-8)13-6-11-9/h2-4,6-7,12H,5H2,1H3
InChIKeyKHKPULKLUFWOAZ-UHFFFAOYSA-N
XLogP1.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-propan-2-yl-1,3-benzoxazole
CID 21354846
2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
2-[1,3-benzoxazol-6-yl(methylamino)methyl]-3-methylbutan-1-ol
CID 116960168
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
3-(1,3-benzoxazol-6-yl)-3-(dimethylamino)propan-1-ol
CID 116907694
1-(1,3-benzoxazol-6-yl)-2-sulfanylethanol
CID 116830039
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
1-(1,3-benzoxazol-6-yl)-3-methylsulfanylpropan-1-ol
CID 116831147
1,3-benzoxazol-6-yl(methylamino)methanethiol
CID 116954549
4-amino-4-(1,3-benzoxazol-6-yl)-3-methylbutanoic acid
CID 116938203
1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine
CID 116915255
1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine
CID 116932975

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-yl)propan-1-ol?
The IUPAC name of 2-(1,3-benzoxazol-6-yl)propan-1-ol (CID 117277502) is 2-(1,3-benzoxazol-6-yl)propan-1-ol.
What is the SMILES notation for 2-(1,3-benzoxazol-6-yl)propan-1-ol?
The canonical SMILES for 2-(1,3-benzoxazol-6-yl)propan-1-ol is CC(CO)c1ccc2ncoc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-6-yl)propan-1-ol?
The InChIKey is KHKPULKLUFWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7(5-12)8-2-3-9-10(4-8)13-6-11-9/h2-4,6-7,12H,5H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-6-yl)propan-1-ol?
2-(1,3-benzoxazol-6-yl)propan-1-ol has a molecular weight of 177.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-6-yl)propan-1-ol is sourced from PubChem (CID 117277502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).