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

C16H9Cl2F2NO2 — CID 131868268

IUPAC[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cc(Cl)ccc2Cl)noc1-c1cccc(F)c1F
InChIInChI=1S/C16H9Cl2F2NO2/c17-8-4-5-12(18)10(6-8)15-11(7-22)16(23-21-15)9-2-1-3-13(19)14(9)20/h1-6,22H,7H2
InChIKeyURYBATOSLMUZBT-UHFFFAOYSA-N
MW356.16 g/mol
LogP5.09
Rot. Bonds3

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

[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868268) has the molecular formula C16H9Cl2F2NO2 and a molecular weight of 356.16 g/mol. Its IUPAC name is [3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868268
Molecular FormulaC16H9Cl2F2NO2
Molecular Weight356.16 g/mol
Exact Mass355.00
IUPAC Name[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cc(Cl)ccc2Cl)noc1-c1cccc(F)c1F
InChIInChI=1S/C16H9Cl2F2NO2/c17-8-4-5-12(18)10(6-8)15-11(7-22)16(23-21-15)9-2-1-3-13(19)14(9)20/h1-6,22H,7H2
InChIKeyURYBATOSLMUZBT-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-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[3-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867217
[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
[3-(2,5-dichlorophenyl)-5-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131868525
[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868157
[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867256
[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868233
[3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868285
[3-(2,3-difluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868496
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131868268) is [3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2cc(Cl)ccc2Cl)noc1-c1cccc(F)c1F.
What is the InChIKey of [3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is URYBATOSLMUZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F2NO2/c17-8-4-5-12(18)10(6-8)15-11(7-22)16(23-21-15)9-2-1-3-13(19)14(9)20/h1-6,22H,7H2.
What are the key properties of [3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol?
[3-(2,5-dichlorophenyl)-5-(2,3-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 [3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).