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

C16H11ClFNO2 — CID 131866878

IUPAC[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClFNO2/c17-11-7-5-10(6-8-11)16-13(9-20)15(19-21-16)12-3-1-2-4-14(12)18/h1-8,20H,9H2
InChIKeyAKUBHJFQQJUZSN-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.29
Rot. Bonds3

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

[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131866878) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131866878
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClFNO2/c17-11-7-5-10(6-8-11)16-13(9-20)15(19-21-16)12-3-1-2-4-14(12)18/h1-8,20H,9H2
InChIKeyAKUBHJFQQJUZSN-UHFFFAOYSA-N
XLogP4.29
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868233
[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868496
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[3-(2-chlorophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868008
[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868413
[3-(3,5-difluorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868050
[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868178
[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868157
[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866841
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131866878) is [5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is AKUBHJFQQJUZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c17-11-7-5-10(6-8-11)16-13(9-20)15(19-21-16)12-3-1-2-4-14(12)18/h1-8,20H,9H2.
What are the key properties of [5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol?
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 303.72 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131866878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).