[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol

C17H13ClFNO2 — CID 131868178

IUPAC[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1ccc(-c2onc(-c3c(F)cccc3Cl)c2CO)cc1
InChIInChI=1S/C17H13ClFNO2/c1-10-5-7-11(8-6-10)17-12(9-21)16(20-22-17)15-13(18)3-2-4-14(15)19/h2-8,21H,9H2,1H3
InChIKeyVQPLJXWHWGVVSS-UHFFFAOYSA-N
MW317.75 g/mol
LogP4.60
Rot. Bonds3

About [3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol

[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868178) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868178
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1ccc(-c2onc(-c3c(F)cccc3Cl)c2CO)cc1
InChIInChI=1S/C17H13ClFNO2/c1-10-5-7-11(8-6-10)17-12(9-21)16(20-22-17)15-13(18)3-2-4-14(15)19/h2-8,21H,9H2,1H3
InChIKeyVQPLJXWHWGVVSS-UHFFFAOYSA-N
XLogP4.60
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866841
[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868496
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867285
[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868233
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
5-(2-chloro-6-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66200268
[3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-1,2-oxazol-4-yl]methanol
CID 138508058
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
[3-(2,3-dichlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867880
[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol (CID 131868178) is [3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol is Cc1ccc(-c2onc(-c3c(F)cccc3Cl)c2CO)cc1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is VQPLJXWHWGVVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-10-5-7-11(8-6-10)17-12(9-21)16(20-22-17)15-13(18)3-2-4-14(15)19/h2-8,21H,9H2,1H3.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol?
[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 317.75 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).