[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol

C12H10F3NO3 — CID 63320802

IUPAC[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(OCc2cnoc2)c(C(F)(F)F)c1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)10-3-8(5-17)1-2-11(10)18-6-9-4-16-19-7-9/h1-4,7,17H,5-6H2
InChIKeyRGAWVSPDPJSCNI-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.76
Rot. Bonds4

About [4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol

[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol (PubChem CID 63320802) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is [4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol
PubChem CID63320802
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(OCc2cnoc2)c(C(F)(F)F)c1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)10-3-8(5-17)1-2-11(10)18-6-9-4-16-19-7-9/h1-4,7,17H,5-6H2
InChIKeyRGAWVSPDPJSCNI-UHFFFAOYSA-N
XLogP2.76
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869592
[5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869596
[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 106705149
[4-[(1-methyltriazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanol
CID 107043845
[4-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 63320753
[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol
CID 55204148
[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320707
[4-(hydroxymethyl)-2-(trifluoromethyl)phenyl] dihydrogen phosphate
CID 139533131
[4-(cyclopentylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320664
[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 103003528
[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 63051638
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320226

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol (CID 63320802) is [4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol is OCc1ccc(OCc2cnoc2)c(C(F)(F)F)c1.
What is the InChIKey of [4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is RGAWVSPDPJSCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c13-12(14,15)10-3-8(5-17)1-2-11(10)18-6-9-4-16-19-7-9/h1-4,7,17H,5-6H2.
What are the key properties of [4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol?
[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 273.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 63320802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).