2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol

C16H14FNO2 — CID 21413849

IUPAC2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol
SMILESCC(CO)c1ccc(-c2nc3ccccc3o2)c(F)c1
InChIInChI=1S/C16H14FNO2/c1-10(9-19)11-6-7-12(13(17)8-11)16-18-14-4-2-3-5-15(14)20-16/h2-8,10,19H,9H2,1H3
InChIKeyYGJHCOXFAJOZOL-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.73
Rot. Bonds3

About 2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol

2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol (PubChem CID 21413849) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol
PubChem CID21413849
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol
SMILESCC(CO)c1ccc(-c2nc3ccccc3o2)c(F)c1
InChIInChI=1S/C16H14FNO2/c1-10(9-19)11-6-7-12(13(17)8-11)16-18-14-4-2-3-5-15(14)20-16/h2-8,10,19H,9H2,1H3
InChIKeyYGJHCOXFAJOZOL-UHFFFAOYSA-N
XLogP3.73
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol (CID 21413849) is 2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol is CC(CO)c1ccc(-c2nc3ccccc3o2)c(F)c1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol?
The InChIKey is YGJHCOXFAJOZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-10(9-19)11-6-7-12(13(17)8-11)16-18-14-4-2-3-5-15(14)20-16/h2-8,10,19H,9H2,1H3.
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol?
2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol has a molecular weight of 271.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol is sourced from PubChem (CID 21413849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).