3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole

C13H10F3NO2 — CID 6111476

IUPAC3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole
SMILESCOc1ccc(/C=C/c2cc(C(F)(F)F)on2)cc1
InChIInChI=1S/C13H10F3NO2/c1-18-11-6-3-9(4-7-11)2-5-10-8-12(19-17-10)13(14,15)16/h2-8H,1H3/b5-2+
InChIKeyOKAOCLGRSWDJRC-GORDUTHDSA-N
MW269.22 g/mol
LogP3.87
Rot. Bonds3

About 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole

3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 6111476) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole
PubChem CID6111476
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole
SMILESCOc1ccc(/C=C/c2cc(C(F)(F)F)on2)cc1
InChIInChI=1S/C13H10F3NO2/c1-18-11-6-3-9(4-7-11)2-5-10-8-12(19-17-10)13(14,15)16/h2-8H,1H3/b5-2+
InChIKeyOKAOCLGRSWDJRC-GORDUTHDSA-N
XLogP3.87
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
5-[3-[2,6-Dimethyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]-3-methyl-isoxazole
CID 515993
5-[3-[4-(2-Fluorophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole
CID 515996
5-[3-[4-(3-Fluorophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole
CID 515997
5-[3-[4-(4-Fluorophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole
CID 515998
5-[3-[4-(3,4-Difluorophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole
CID 515999
3-(4-Butoxy-phenyl)-isoxazole
CID 11378954
5-(Fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 153320918
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate
CID 2087378
5-(4-Butoxy-phenyl)-3-methyl-isoxazole
CID 11253245
5-[3-[2,6-Dimethyl-4-[3-(trifluoromethyl)phenyl]phenoxy]propyl]-3-methyl-1,2-oxazole
CID 11703786
5-[3-[2,6-Dimethyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]-3-methyl-1,2-oxazole
CID 44427664

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole (CID 6111476) is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole is COc1ccc(/C=C/c2cc(C(F)(F)F)on2)cc1.
What is the InChIKey of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is OKAOCLGRSWDJRC-GORDUTHDSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-18-11-6-3-9(4-7-11)2-5-10-8-12(19-17-10)13(14,15)16/h2-8H,1H3/b5-2+.
What are the key properties of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole?
3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 269.22 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 6111476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).