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

C16H10BrCl2NO2 — CID 131867826

IUPAC[3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Br)cc2)noc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10BrCl2NO2/c17-11-4-1-9(2-5-11)15-12(8-21)16(22-20-15)10-3-6-13(18)14(19)7-10/h1-7,21H,8H2
InChIKeyUNJXCIWSNFHUGC-UHFFFAOYSA-N
MW399.07 g/mol
LogP5.57
Rot. Bonds3

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

[3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131867826) has the molecular formula C16H10BrCl2NO2 and a molecular weight of 399.07 g/mol. Its IUPAC name is [3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131867826
Molecular FormulaC16H10BrCl2NO2
Molecular Weight399.07 g/mol
Exact Mass396.93
IUPAC Name[3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Br)cc2)noc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10BrCl2NO2/c17-11-4-1-9(2-5-11)15-12(8-21)16(22-20-15)10-3-6-13(18)14(19)7-10/h1-7,21H,8H2
InChIKeyUNJXCIWSNFHUGC-UHFFFAOYSA-N
XLogP5.57
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.07
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867191
[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868091
[3-(2,3-dichlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867880
[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866841
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868413
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
[3-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867227
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867975
[5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol
CID 131868108
[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868442

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol (CID 131867826) is [3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2ccc(Br)cc2)noc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is UNJXCIWSNFHUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2NO2/c17-11-4-1-9(2-5-11)15-12(8-21)16(22-20-15)10-3-6-13(18)14(19)7-10/h1-7,21H,8H2.
What are the key properties of [3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol?
[3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 399.07 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131867826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).