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

C16H11BrClNO2 — CID 131868413

IUPAC[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2)noc1-c1ccccc1Br
InChIInChI=1S/C16H11BrClNO2/c17-14-4-2-1-3-12(14)16-13(9-20)15(19-21-16)10-5-7-11(18)8-6-10/h1-8,20H,9H2
InChIKeyWXZJOMHEYDVDJV-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.92
Rot. Bonds3

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

[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868413) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is [5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868413
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2)noc1-c1ccccc1Br
InChIInChI=1S/C16H11BrClNO2/c17-14-4-2-1-3-12(14)16-13(9-20)15(19-21-16)10-5-7-11(18)8-6-10/h1-8,20H,9H2
InChIKeyWXZJOMHEYDVDJV-UHFFFAOYSA-N
XLogP4.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[3-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867217
[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867191
[3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867826
[3-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867227
[3-(3,5-difluorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868050
[3-(2-chlorophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868008
[3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867155
[3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol
CID 66643815
[5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867824
[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868442

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol (CID 131868413) is [5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2ccc(Cl)cc2)noc1-c1ccccc1Br.
What is the InChIKey of [5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is WXZJOMHEYDVDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c17-14-4-2-1-3-12(14)16-13(9-20)15(19-21-16)10-5-7-11(18)8-6-10/h1-8,20H,9H2.
What are the key properties of [5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol?
[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 364.63 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).