2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol

C14H14F3NO2 — CID 115084078

IUPAC2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol
SMILESCC(CO)c1coc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3NO2/c1-9(7-19)12-8-20-13(18-12)6-10-2-4-11(5-3-10)14(15,16)17/h2-5,8-9,19H,6-7H2,1H3
InChIKeyJOQATXNVTIHQHU-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.38
Rot. Bonds4

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

2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol (PubChem CID 115084078) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol
PubChem CID115084078
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol
SMILESCC(CO)c1coc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3NO2/c1-9(7-19)12-8-20-13(18-12)6-10-2-4-11(5-3-10)14(15,16)17/h2-5,8-9,19H,6-7H2,1H3
InChIKeyJOQATXNVTIHQHU-UHFFFAOYSA-N
XLogP3.38
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115084121
2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115083926
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084171
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
CID 163697697
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084104
2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 64666701
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
2-(2-phenyl-1,3-oxazol-4-yl)propan-1-ol
CID 115084305
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
CID 163606669
2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 65315346

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol?
The IUPAC name of 2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol (CID 115084078) is 2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol?
The canonical SMILES for 2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol is CC(CO)c1coc(Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol?
The InChIKey is JOQATXNVTIHQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-9(7-19)12-8-20-13(18-12)6-10-2-4-11(5-3-10)14(15,16)17/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol?
2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol has a molecular weight of 285.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol is sourced from PubChem (CID 115084078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).