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

C15H10F2N2O5 — CID 7569541

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate
SMILESO=C(OCc1nnc(-c2ccco2)o1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10F2N2O5/c16-15(17)23-10-5-3-9(4-6-10)14(20)22-8-12-18-19-13(24-12)11-2-1-7-21-11/h1-7,15H,8H2
InChIKeyHGBVEWJVGJZHRM-UHFFFAOYSA-N
MW336.25 g/mol
LogP3.29
Rot. Bonds6

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate (PubChem CID 7569541) has the molecular formula C15H10F2N2O5 and a molecular weight of 336.25 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate
PubChem CID7569541
Molecular FormulaC15H10F2N2O5
Molecular Weight336.25 g/mol
Exact Mass336.06
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate
SMILESO=C(OCc1nnc(-c2ccco2)o1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10F2N2O5/c16-15(17)23-10-5-3-9(4-6-10)14(20)22-8-12-18-19-13(24-12)11-2-1-7-21-11/h1-7,15H,8H2
InChIKeyHGBVEWJVGJZHRM-UHFFFAOYSA-N
XLogP3.29
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996471
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(trifluoromethyl)benzoate
CID 7838320
[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 2-hydroxybenzoate
CID 7797636
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977889
[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 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 2-(4-benzoylphenoxy)acetate
CID 8925453
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate
CID 9139477
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 9272371
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
CID 7980221

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate (CID 7569541) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate is O=C(OCc1nnc(-c2ccco2)o1)c1ccc(OC(F)F)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate?
The InChIKey is HGBVEWJVGJZHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O5/c16-15(17)23-10-5-3-9(4-6-10)14(20)22-8-12-18-19-13(24-12)11-2-1-7-21-11/h1-7,15H,8H2.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate has a molecular weight of 336.25 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 7569541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).