2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C13H10F3NO3 — CID 71392848

IUPAC2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OCC(F)(F)F
InChIInChI=1S/C13H10F3NO3/c1-8-10(12(18)19-7-13(14,15)16)17-11(20-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyQFBPXARCLIOVHE-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.37
Rot. Bonds3

About 2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 71392848) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID71392848
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OCC(F)(F)F
InChIInChI=1S/C13H10F3NO3/c1-8-10(12(18)19-7-13(14,15)16)17-11(20-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyQFBPXARCLIOVHE-UHFFFAOYSA-N
XLogP3.37
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 151350857
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727233
ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylate
CID 122477403
[2-(cyclopentylamino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727406
2-(4-bromophenoxy)ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726627
2-(4-chlorophenoxy)ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726389
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726729

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 71392848) is 2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccccc2)nc1C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is QFBPXARCLIOVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-8-10(12(18)19-7-13(14,15)16)17-11(20-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 285.22 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 71392848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).