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

C17H12F3NO2 — CID 102345414

IUPAC2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCOc1ccc(-c2ncc(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C17H12F3NO2/c1-22-14-8-4-12(5-9-14)16-21-10-15(23-16)11-2-6-13(7-3-11)17(18,19)20/h2-10H,1H3
InChIKeyATUFSNUSKNWJOA-UHFFFAOYSA-N
MW319.28 g/mol
LogP5.04
Rot. Bonds3

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

2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 102345414) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID102345414
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCOc1ccc(-c2ncc(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C17H12F3NO2/c1-22-14-8-4-12(5-9-14)16-21-10-15(23-16)11-2-6-13(7-3-11)17(18,19)20/h2-10H,1H3
InChIKeyATUFSNUSKNWJOA-UHFFFAOYSA-N
XLogP5.04
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.28
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole
CID 146168552
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
5-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-oxazole
CID 928446
2,6-bis[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 102140066
4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-2-amine
CID 71401542
5-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylaniline
CID 143054394
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl] perchlorate
CID 88703781
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 58804845

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 102345414) is 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole is COc1ccc(-c2ncc(-c3ccc(C(F)(F)F)cc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is ATUFSNUSKNWJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-22-14-8-4-12(5-9-14)16-21-10-15(23-16)11-2-6-13(7-3-11)17(18,19)20/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 319.28 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 102345414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).