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

C16H10F3NO — CID 102265146

IUPAC5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H10F3NO/c17-16(18,19)13-8-6-12(7-9-13)15-20-10-14(21-15)11-4-2-1-3-5-11/h1-10H
InChIKeyNQTVUCGJWQXSSL-UHFFFAOYSA-N
MW289.26 g/mol
LogP5.03
Rot. Bonds2

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

5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 102265146) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is 5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID102265146
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H10F3NO/c17-16(18,19)13-8-6-12(7-9-13)15-20-10-14(21-15)11-4-2-1-3-5-11/h1-10H
InChIKeyNQTVUCGJWQXSSL-UHFFFAOYSA-N
XLogP5.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.26
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 175523591
2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
4-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 19258749
2,6-bis[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 102140066
2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71060395
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 71327926
5-phenyl-2-thiophen-2-yl-1,3-oxazole
CID 4303653
[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate
CID 71501498

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 102265146) is 5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1ccc(-c2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is NQTVUCGJWQXSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c17-16(18,19)13-8-6-12(7-9-13)15-20-10-14(21-15)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 289.26 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 102265146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).