[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate

C15H9F3N2O4 — CID 7838320

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate
SMILESO=C(OCc1nnc(-c2ccco2)o1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F3N2O4/c16-15(17,18)10-5-3-9(4-6-10)14(21)23-8-12-19-20-13(24-12)11-2-1-7-22-11/h1-7H,8H2
InChIKeyHYFPMZACGYJPRA-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.71
Rot. Bonds4

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate (PubChem CID 7838320) has the molecular formula C15H9F3N2O4 and a molecular weight of 338.24 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate
PubChem CID7838320
Molecular FormulaC15H9F3N2O4
Molecular Weight338.24 g/mol
Exact Mass338.05
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate
SMILESO=C(OCc1nnc(-c2ccco2)o1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F3N2O4/c16-15(17,18)10-5-3-9(4-6-10)14(21)23-8-12-19-20-13(24-12)11-2-1-7-22-11/h1-7H,8H2
InChIKeyHYFPMZACGYJPRA-UHFFFAOYSA-N
XLogP3.71
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate
CID 7569541
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate
CID 8630987
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenoxybenzoate
CID 7985148
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014045
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorobenzoyl)benzoate
CID 7812387
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-nitrofuran-2-carboxylate
CID 9454803
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7830696
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2,3,4-trimethoxybenzoate
CID 8610388
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
CID 7980221
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 7885551

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate (CID 7838320) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate is O=C(OCc1nnc(-c2ccco2)o1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate?
The InChIKey is HYFPMZACGYJPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O4/c16-15(17,18)10-5-3-9(4-6-10)14(21)23-8-12-19-20-13(24-12)11-2-1-7-22-11/h1-7H,8H2.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate has a molecular weight of 338.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 7838320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).