2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol

C13H14FNO2 — CID 18376373

IUPAC2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol
SMILESCCc1oc(-c2ccc(F)cc2)nc1CCO
InChIInChI=1S/C13H14FNO2/c1-2-12-11(7-8-16)15-13(17-12)9-3-5-10(14)6-4-9/h3-6,16H,2,7-8H2,1H3
InChIKeyBANDAEIKEKUCLJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.58
Rot. Bonds4

About 2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol

2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol (PubChem CID 18376373) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol
PubChem CID18376373
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol
SMILESCCc1oc(-c2ccc(F)cc2)nc1CCO
InChIInChI=1S/C13H14FNO2/c1-2-12-11(7-8-16)15-13(17-12)9-3-5-10(14)6-4-9/h3-6,16H,2,7-8H2,1H3
InChIKeyBANDAEIKEKUCLJ-UHFFFAOYSA-N
XLogP2.58
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol (CID 18376373) is 2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol is CCc1oc(-c2ccc(F)cc2)nc1CCO.
What is the InChIKey of 2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is BANDAEIKEKUCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-2-12-11(7-8-16)15-13(17-12)9-3-5-10(14)6-4-9/h3-6,16H,2,7-8H2,1H3.
What are the key properties of 2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol?
2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 235.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 18376373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).