2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol

C10H10FNO2 — CID 177186867

IUPAC2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1cc(F)c2ocnc2c1
InChIInChI=1S/C10H10FNO2/c1-10(2,13)6-3-7(11)9-8(4-6)12-5-14-9/h3-5,13H,1-2H3
InChIKeyGSDCRKZZIOXLCZ-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.19
Rot. Bonds1

About 2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol

2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol (PubChem CID 177186867) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol
PubChem CID177186867
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1cc(F)c2ocnc2c1
InChIInChI=1S/C10H10FNO2/c1-10(2,13)6-3-7(11)9-8(4-6)12-5-14-9/h3-5,13H,1-2H3
InChIKeyGSDCRKZZIOXLCZ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol?
The IUPAC name of 2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol (CID 177186867) is 2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol is CC(C)(O)c1cc(F)c2ocnc2c1.
What is the InChIKey of 2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol?
The InChIKey is GSDCRKZZIOXLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-10(2,13)6-3-7(11)9-8(4-6)12-5-14-9/h3-5,13H,1-2H3.
What are the key properties of 2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol?
2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol has a molecular weight of 195.19 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol is sourced from PubChem (CID 177186867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).