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

C11H8F3NO — CID 10263127

IUPAC4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole
SMILESCc1c(-c2ccccc2)noc1C(F)(F)F
InChIInChI=1S/C11H8F3NO/c1-7-9(8-5-3-2-4-6-8)15-16-10(7)11(12,13)14/h2-6H,1H3
InChIKeyQGICXNXTSKETCY-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.67
Rot. Bonds1

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

4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 10263127) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole
PubChem CID10263127
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole
SMILESCc1c(-c2ccccc2)noc1C(F)(F)F
InChIInChI=1S/C11H8F3NO/c1-7-9(8-5-3-2-4-6-8)15-16-10(7)11(12,13)14/h2-6H,1H3
InChIKeyQGICXNXTSKETCY-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(4-piperidin-1-ylphenyl)-5-(trifluoromethyl)-1,2-oxazole
CID 151248829
3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole
CID 134400417
ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 23236715
[4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanesulfinate
CID 174716088
3-phenyl-4-(1-phenylimidazol-4-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 25130449
1-[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]ethanone
CID 67362402
1-[3-phenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2-oxazol-4-yl]ethanol
CID 11016646
5-tert-butyl-3-phenyl-4-phenylselanyl-1,2-oxazole
CID 102450262
methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate
CID 90340143
3-phenyl-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 25130781
lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid
CID 174645713
ethyl 5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-3-phenyl-1,2-oxazole-4-carboxylate
CID 15514968

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole (CID 10263127) is 4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole is Cc1c(-c2ccccc2)noc1C(F)(F)F.
What is the InChIKey of 4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is QGICXNXTSKETCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-7-9(8-5-3-2-4-6-8)15-16-10(7)11(12,13)14/h2-6H,1H3.
What are the key properties of 4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole?
4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 227.19 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 10263127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).