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

C12H10F3NO2 — CID 22221056

IUPAC[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
SMILESCc1onc(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C12H10F3NO2/c1-7-10(6-17)11(16-18-7)8-2-4-9(5-3-8)12(13,14)15/h2-5,17H,6H2,1H3
InChIKeyMLDAJMNVAYUDJE-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.16
Rot. Bonds2

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

[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol (PubChem CID 22221056) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is [5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
PubChem CID22221056
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
SMILESCc1onc(-c2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C12H10F3NO2/c1-7-10(6-17)11(16-18-7)8-2-4-9(5-3-8)12(13,14)15/h2-5,17H,6H2,1H3
InChIKeyMLDAJMNVAYUDJE-UHFFFAOYSA-N
XLogP3.16
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131868158
[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131866937
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 82128657
[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 82371295
[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82371289
[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192
[3-(3-ethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82128981
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2741597
[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
bis[4-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanone
CID 174726964
N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 31619587
[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol
CID 70981004

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol (CID 22221056) is [5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol is Cc1onc(-c2ccc(C(F)(F)F)cc2)c1CO.
What is the InChIKey of [5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
The InChIKey is MLDAJMNVAYUDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-7-10(6-17)11(16-18-7)8-2-4-9(5-3-8)12(13,14)15/h2-5,17H,6H2,1H3.
What are the key properties of [5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol has a molecular weight of 257.21 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 22221056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).