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

C17H13ClFNO2 — CID 131867864

IUPAC[3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1ccccc1-c1onc(-c2ccc(F)cc2Cl)c1CO
InChIInChI=1S/C17H13ClFNO2/c1-10-4-2-3-5-12(10)17-14(9-21)16(20-22-17)13-7-6-11(19)8-15(13)18/h2-8,21H,9H2,1H3
InChIKeyBHSIEEHNVPPREN-UHFFFAOYSA-N
MW317.75 g/mol
LogP4.60
Rot. Bonds3

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

[3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131867864) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is [3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131867864
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name[3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCc1ccccc1-c1onc(-c2ccc(F)cc2Cl)c1CO
InChIInChI=1S/C17H13ClFNO2/c1-10-4-2-3-5-12(10)17-14(9-21)16(20-22-17)13-7-6-11(19)8-15(13)18/h2-8,21H,9H2,1H3
InChIKeyBHSIEEHNVPPREN-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

[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867256
[3-(2-chlorophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868008
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867285
[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897
[3-(2-chloro-5-fluorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol
CID 131867226
[5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol
CID 131867968
[5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867824
[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868139
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[3-(3,5-difluorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868050
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[5-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867266

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol (CID 131867864) is [3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol is Cc1ccccc1-c1onc(-c2ccc(F)cc2Cl)c1CO.
What is the InChIKey of [3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is BHSIEEHNVPPREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-10-4-2-3-5-12(10)17-14(9-21)16(20-22-17)13-7-6-11(19)8-15(13)18/h2-8,21H,9H2,1H3.
What are the key properties of [3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol?
[3-(2-chloro-4-fluorophenyl)-5-(2-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-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131867864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).