[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate

C15H11F3N2O4 — CID 75383867

IUPAC[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate
SMILESCCc1ocnc1C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C15H11F3N2O4/c1-2-10-13(19-7-23-10)14(21)22-6-12-20-9-5-8(15(16,17)18)3-4-11(9)24-12/h3-5,7H,2,6H2,1H3
InChIKeyQCRWMRIDDMEVSA-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.75
Rot. Bonds4

About [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate

[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate (PubChem CID 75383867) has the molecular formula C15H11F3N2O4 and a molecular weight of 340.26 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate
PubChem CID75383867
Molecular FormulaC15H11F3N2O4
Molecular Weight340.26 g/mol
Exact Mass340.07
IUPAC Name[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate
SMILESCCc1ocnc1C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C15H11F3N2O4/c1-2-10-13(19-7-23-10)14(21)22-6-12-20-9-5-8(15(16,17)18)3-4-11(9)24-12/h3-5,7H,2,6H2,1H3
InChIKeyQCRWMRIDDMEVSA-UHFFFAOYSA-N
XLogP3.75
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate (CID 75383867) is [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate is CCc1ocnc1C(=O)OCc1nc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate?
The InChIKey is QCRWMRIDDMEVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4/c1-2-10-13(19-7-23-10)14(21)22-6-12-20-9-5-8(15(16,17)18)3-4-11(9)24-12/h3-5,7H,2,6H2,1H3.
What are the key properties of [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate?
[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate has a molecular weight of 340.26 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,3-benzoxazol-2-yl]methyl 5-ethyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 75383867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).