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

C16H9Cl4NO2 — CID 131867941

IUPAC[3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(Cl)c2Cl)noc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H9Cl4NO2/c17-9-4-8(5-10(18)6-9)16-12(7-22)15(21-23-16)11-2-1-3-13(19)14(11)20/h1-6,22H,7H2
InChIKeyKRVQJQOIRJJKHF-UHFFFAOYSA-N
MW389.07 g/mol
LogP6.11
Rot. Bonds3

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

[3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131867941) has the molecular formula C16H9Cl4NO2 and a molecular weight of 389.07 g/mol. Its IUPAC name is [3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131867941
Molecular FormulaC16H9Cl4NO2
Molecular Weight389.07 g/mol
Exact Mass386.94
IUPAC Name[3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cccc(Cl)c2Cl)noc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H9Cl4NO2/c17-9-4-8(5-10(18)6-9)16-12(7-22)15(21-23-16)11-2-1-3-13(19)14(11)20/h1-6,22H,7H2
InChIKeyKRVQJQOIRJJKHF-UHFFFAOYSA-N
XLogP6.11
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.07
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,3-dichlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867880
[5-(3,5-dichlorophenyl)-3-(2-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131866916
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[5-(2,3-dichlorophenyl)-3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867931
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[3-(2-chlorophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868008
[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868157
[3-(2,5-dichlorophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868268
[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867191
[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867256
[3-(2-chloro-6-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868178

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol (CID 131867941) is [3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2cccc(Cl)c2Cl)noc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is KRVQJQOIRJJKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl4NO2/c17-9-4-8(5-10(18)6-9)16-12(7-22)15(21-23-16)11-2-1-3-13(19)14(11)20/h1-6,22H,7H2.
What are the key properties of [3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol?
[3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 389.07 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dichlorophenyl)-5-(3,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131867941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).