[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol

C11H7BrF3NO2 — CID 70981004

IUPAC[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol
SMILESOCc1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1
InChIInChI=1S/C11H7BrF3NO2/c12-10-9(16-8(5-17)18-10)6-1-3-7(4-2-6)11(13,14)15/h1-4,17H,5H2
InChIKeyMOVGOGYIHQAADD-UHFFFAOYSA-N
MW322.08 g/mol
LogP3.62
Rot. Bonds2

About [5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol

[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol (PubChem CID 70981004) has the molecular formula C11H7BrF3NO2 and a molecular weight of 322.08 g/mol. Its IUPAC name is [5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol.

Molecular Properties

Compound Name[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol
PubChem CID70981004
Molecular FormulaC11H7BrF3NO2
Molecular Weight322.08 g/mol
Exact Mass320.96
IUPAC Name[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol
SMILESOCc1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1
InChIInChI=1S/C11H7BrF3NO2/c12-10-9(16-8(5-17)18-10)6-1-3-7(4-2-6)11(13,14)15/h1-4,17H,5H2
InChIKeyMOVGOGYIHQAADD-UHFFFAOYSA-N
XLogP3.62
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]heptanedioic acid
CID 123494978
[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 131866706
5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline
CID 176528078
[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625763
[2-acetyloxy-3-bromo-3-[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]propyl] acetate
CID 86718628
[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 22221056
3-[2-amino-1-[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-difluorobenzamide
CID 89157118
4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 10691278
5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole
CID 82134975
3-[1-[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]-3-hydroxypropoxy]-2,6-difluorobenzamide
CID 66574789
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 57159559
3-[1-[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluoro-N-methylbenzamide
CID 138725973

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol?
The IUPAC name of [5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol (CID 70981004) is [5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol.
What is the SMILES notation for [5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol?
The canonical SMILES for [5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol is OCc1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1.
What is the InChIKey of [5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol?
The InChIKey is MOVGOGYIHQAADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO2/c12-10-9(16-8(5-17)18-10)6-1-3-7(4-2-6)11(13,14)15/h1-4,17H,5H2.
What are the key properties of [5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol?
[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol has a molecular weight of 322.08 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol is sourced from PubChem (CID 70981004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).