[1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol

C14H14FNO2 — CID 102543907

IUPAC[1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol
SMILESOCC1(c2cc(-c3ccc(F)cc3)on2)CCC1
InChIInChI=1S/C14H14FNO2/c15-11-4-2-10(3-5-11)12-8-13(16-18-12)14(9-17)6-1-7-14/h2-5,8,17H,1,6-7,9H2
InChIKeySEELLIYRKIXROB-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.89
Rot. Bonds3

About [1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol

[1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol (PubChem CID 102543907) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is [1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol
PubChem CID102543907
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name[1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol
SMILESOCC1(c2cc(-c3ccc(F)cc3)on2)CCC1
InChIInChI=1S/C14H14FNO2/c15-11-4-2-10(3-5-11)12-8-13(16-18-12)14(9-17)6-1-7-14/h2-5,8,17H,1,6-7,9H2
InChIKeySEELLIYRKIXROB-UHFFFAOYSA-N
XLogP2.89
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol?
The IUPAC name of [1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol (CID 102543907) is [1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol.
What is the SMILES notation for [1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol?
The canonical SMILES for [1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol is OCC1(c2cc(-c3ccc(F)cc3)on2)CCC1.
What is the InChIKey of [1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol?
The InChIKey is SEELLIYRKIXROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-11-4-2-10(3-5-11)12-8-13(16-18-12)14(9-17)6-1-7-14/h2-5,8,17H,1,6-7,9H2.
What are the key properties of [1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol?
[1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol has a molecular weight of 247.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol is sourced from PubChem (CID 102543907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).