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

C16H10ClF2NO2 — CID 131867256

IUPAC[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1F
InChIInChI=1S/C16H10ClF2NO2/c17-13-4-2-1-3-10(13)15-12(8-21)16(22-20-15)11-6-5-9(18)7-14(11)19/h1-7,21H,8H2
InChIKeyIRANIXLNKOJKOK-UHFFFAOYSA-N
MW321.71 g/mol
LogP4.43
Rot. Bonds3

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

[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131867256) has the molecular formula C16H10ClF2NO2 and a molecular weight of 321.71 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131867256
Molecular FormulaC16H10ClF2NO2
Molecular Weight321.71 g/mol
Exact Mass321.04
IUPAC Name[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1F
InChIInChI=1S/C16H10ClF2NO2/c17-13-4-2-1-3-10(13)15-12(8-21)16(22-20-15)11-6-5-9(18)7-14(11)19/h1-7,21H,8H2
InChIKeyIRANIXLNKOJKOK-UHFFFAOYSA-N
XLogP4.43
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chlorophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868008
[3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867864
[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[3-(2-chloro-5-fluorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol
CID 131867226
[3-(3,5-difluorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868050
[5-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-1,2-oxazol-4-yl]methanol
CID 131867968
[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
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274
[3-(2,5-dichlorophenyl)-5-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131868525
[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868468

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131867256) is [3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1F.
What is the InChIKey of [3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is IRANIXLNKOJKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO2/c17-13-4-2-1-3-10(13)15-12(8-21)16(22-20-15)11-6-5-9(18)7-14(11)19/h1-7,21H,8H2.
What are the key properties of [3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol?
[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 321.71 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131867256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).