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

C16H11F2NO2 — CID 131868204

IUPAC[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(F)c2)noc1-c1ccc(F)cc1
InChIInChI=1S/C16H11F2NO2/c17-12-6-4-10(5-7-12)16-14(9-20)15(19-21-16)11-2-1-3-13(18)8-11/h1-8,20H,9H2
InChIKeyNIAOIUWWTNPOJJ-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.78
Rot. Bonds3

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

[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868204) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868204
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(F)c2)noc1-c1ccc(F)cc1
InChIInChI=1S/C16H11F2NO2/c17-12-6-4-10(5-7-12)16-14(9-20)15(19-21-16)11-2-1-3-13(18)8-11/h1-8,20H,9H2
InChIKeyNIAOIUWWTNPOJJ-UHFFFAOYSA-N
XLogP3.78
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868233
[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897
[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868468
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131868158
[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131866937
[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868157
[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868442
[3-(3,5-difluorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868050
[5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol
CID 131868108
[3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867155

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131868204) is [3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2cccc(F)c2)noc1-c1ccc(F)cc1.
What is the InChIKey of [3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is NIAOIUWWTNPOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c17-12-6-4-10(5-7-12)16-14(9-20)15(19-21-16)11-2-1-3-13(18)8-11/h1-8,20H,9H2.
What are the key properties of [3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol?
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 287.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).