4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol

C10H10FNO2 — CID 177078796

IUPAC4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol
SMILESCC(C)c1cc2ocnc2c(F)c1O
InChIInChI=1S/C10H10FNO2/c1-5(2)6-3-7-9(12-4-14-7)8(11)10(6)13/h3-5,13H,1-2H3
InChIKeyUOQYJSVCIUICOA-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.80
Rot. Bonds1

About 4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol

4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol (PubChem CID 177078796) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol
PubChem CID177078796
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol
SMILESCC(C)c1cc2ocnc2c(F)c1O
InChIInChI=1S/C10H10FNO2/c1-5(2)6-3-7-9(12-4-14-7)8(11)10(6)13/h3-5,13H,1-2H3
InChIKeyUOQYJSVCIUICOA-UHFFFAOYSA-N
XLogP2.80
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol?
The IUPAC name of 4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol (CID 177078796) is 4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol.
What is the SMILES notation for 4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol?
The canonical SMILES for 4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol is CC(C)c1cc2ocnc2c(F)c1O.
What is the InChIKey of 4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol?
The InChIKey is UOQYJSVCIUICOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-5(2)6-3-7-9(12-4-14-7)8(11)10(6)13/h3-5,13H,1-2H3.
What are the key properties of 4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol?
4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol has a molecular weight of 195.19 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-propan-2-yl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 177078796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).