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

C16H10BrF2NO2 — CID 131868468

IUPAC[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cc(F)ccc2F)noc1-c1cccc(Br)c1
InChIInChI=1S/C16H10BrF2NO2/c17-10-3-1-2-9(6-10)16-13(8-21)15(20-22-16)12-7-11(18)4-5-14(12)19/h1-7,21H,8H2
InChIKeyKNBBNDKTQBMLHH-UHFFFAOYSA-N
MW366.16 g/mol
LogP4.54
Rot. Bonds3

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

[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868468) has the molecular formula C16H10BrF2NO2 and a molecular weight of 366.16 g/mol. Its IUPAC name is [5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868468
Molecular FormulaC16H10BrF2NO2
Molecular Weight366.16 g/mol
Exact Mass364.99
IUPAC Name[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2cc(F)ccc2F)noc1-c1cccc(Br)c1
InChIInChI=1S/C16H10BrF2NO2/c17-10-3-1-2-9(6-10)16-13(8-21)15(20-22-16)12-7-11(18)4-5-14(12)19/h1-7,21H,8H2
InChIKeyKNBBNDKTQBMLHH-UHFFFAOYSA-N
XLogP4.54
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol with MolForge

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Related Compounds

[3-(3-bromophenyl)-5-(2,4,5-trifluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867155
[3-(2-chlorophenyl)-5-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868008
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897
[5-(3-chlorophenyl)-3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866952
[3-(2,3-difluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868233
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
[3-(2,3-difluorophenyl)-5-(3,5-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868157
[3-(3,5-difluorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868050
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867256
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol (CID 131868468) is [5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol is OCc1c(-c2cc(F)ccc2F)noc1-c1cccc(Br)c1.
What is the InChIKey of [5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is KNBBNDKTQBMLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO2/c17-10-3-1-2-9(6-10)16-13(8-21)15(20-22-16)12-7-11(18)4-5-14(12)19/h1-7,21H,8H2.
What are the key properties of [5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol?
[5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 366.16 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).