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

C14H12F3NO2 — CID 54227597

IUPAC[5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol
SMILESCc1oc(C=Cc2cccc(C(F)(F)F)c2)nc1CO
InChIInChI=1S/C14H12F3NO2/c1-9-12(8-19)18-13(20-9)6-5-10-3-2-4-11(7-10)14(15,16)17/h2-7,19H,8H2,1H3
InChIKeyQGYQPQINMNTARU-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.66
Rot. Bonds3

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

[5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol (PubChem CID 54227597) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is [5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol
PubChem CID54227597
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name[5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol
SMILESCc1oc(C=Cc2cccc(C(F)(F)F)c2)nc1CO
InChIInChI=1S/C14H12F3NO2/c1-9-12(8-19)18-13(20-9)6-5-10-3-2-4-11(7-10)14(15,16)17/h2-7,19H,8H2,1H3
InChIKeyQGYQPQINMNTARU-UHFFFAOYSA-N
XLogP3.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 13282931
(E,3R)-5-[3-(trifluoromethyl)phenyl]pent-4-ene-1,3-diol
CID 130467338
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
3-methoxy-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]phenol
CID 146557321
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde
CID 122476089
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
methyl 2-methyl-5-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]oxymethyl]furan-3-carboxylate
CID 7967729
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
5,6-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
CID 6147969
[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
CID 21300962

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol (CID 54227597) is [5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol is Cc1oc(C=Cc2cccc(C(F)(F)F)c2)nc1CO.
What is the InChIKey of [5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol?
The InChIKey is QGYQPQINMNTARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-9-12(8-19)18-13(20-9)6-5-10-3-2-4-11(7-10)14(15,16)17/h2-7,19H,8H2,1H3.
What are the key properties of [5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol?
[5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol has a molecular weight of 283.25 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 54227597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).