ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate

C12H14F3NO3 — CID 103199553

IUPACethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-2-18-11(17)8-9(12(13,14)15)16-10(19-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyNTYJGMLJGWAGOD-UHFFFAOYSA-N
MW277.24 g/mol
LogP3.53
Rot. Bonds3

About ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate

ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 103199553) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID103199553
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Nameethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-2-18-11(17)8-9(12(13,14)15)16-10(19-8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyNTYJGMLJGWAGOD-UHFFFAOYSA-N
XLogP3.53
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (CID 103199553) is ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C2CCCC2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is NTYJGMLJGWAGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-2-18-11(17)8-9(12(13,14)15)16-10(19-8)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 277.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopentyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).