ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate

C7H6F3NO3 — CID 158434340

IUPACethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)F)o1
InChIInChI=1S/C7H6F3NO3/c1-2-13-5(12)4-3-11-6(14-4)7(8,9)10/h3H,2H2,1H3
InChIKeyHCASIADCRLJOQT-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.87
Rot. Bonds2

About ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate

ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 158434340) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID158434340
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Nameethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)F)o1
InChIInChI=1S/C7H6F3NO3/c1-2-13-5(12)4-3-11-6(14-4)7(8,9)10/h3H,2H2,1H3
InChIKeyHCASIADCRLJOQT-UHFFFAOYSA-N
XLogP1.87
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-1,3-oxazole-5-carboxylate
CID 12639612
ethyl 2-(trifluoromethylsulfanyl)-1,3-oxazole-5-carboxylate
CID 156769459
ethyl 2-formyl-1,3-oxazole-5-carboxylate
CID 119087702
ethyl 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-1,3-oxazole-5-carboxylate
CID 166301269
ethyl 2-(2-chloro-1,3-oxazole-5-carbonyl)oxy-1,3-oxazole-5-carboxylate
CID 175325734
ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate
CID 133061146
ethyl 1-oxo-6,7-bis(trifluoromethyl)isochromene-3-carboxylate
CID 14568419
butyl 2-methyl-1,3-oxazole-5-carboxylate
CID 135122446
ethyl 2-(2-methoxyanilino)-1,3-oxazole-5-carboxylate
CID 139225277
ethyl 6-(trifluoromethyl)-1-benzofuran-2-carboxylate
CID 90154398
1-[2-(1,1-difluoroethyl)-1,3-oxazol-5-yl]ethanone
CID 84766775
ethyl 5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-carboxylate
CID 56971831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate (CID 158434340) is ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(C(F)(F)F)o1.
What is the InChIKey of ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is HCASIADCRLJOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c1-2-13-5(12)4-3-11-6(14-4)7(8,9)10/h3H,2H2,1H3.
What are the key properties of ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 209.12 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 158434340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).