[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol

C16H9Cl2F2NO2 — CID 131867285

IUPAC[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2c(F)cccc2F)noc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2F2NO2/c17-8-4-5-9(11(18)6-8)16-10(7-22)15(21-23-16)14-12(19)2-1-3-13(14)20/h1-6,22H,7H2
InChIKeyXIIWUUGRWYDNHQ-UHFFFAOYSA-N
MW356.16 g/mol
LogP5.09
Rot. Bonds3

About [5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol

[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131867285) has the molecular formula C16H9Cl2F2NO2 and a molecular weight of 356.16 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131867285
Molecular FormulaC16H9Cl2F2NO2
Molecular Weight356.16 g/mol
Exact Mass355.00
IUPAC Name[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2c(F)cccc2F)noc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2F2NO2/c17-8-4-5-9(11(18)6-8)16-10(7-22)15(21-23-16)14-12(19)2-1-3-13(14)20/h1-6,22H,7H2
InChIKeyXIIWUUGRWYDNHQ-UHFFFAOYSA-N
XLogP5.09
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.16
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,4-dichlorophenyl)-3-(2,6-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867302
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol
CID 131868310
[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868178
[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866841
[3-(2-chloro-4-fluorophenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867864
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868254
[3-(2-chlorophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868008
[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867256
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131867285) is [5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2c(F)cccc2F)noc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is XIIWUUGRWYDNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F2NO2/c17-8-4-5-9(11(18)6-8)16-10(7-22)15(21-23-16)14-12(19)2-1-3-13(14)20/h1-6,22H,7H2.
What are the key properties of [5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol?
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 356.16 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131867285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).