[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate

C12H7BrN2O5 — CID 8014045

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccco2)o1)c1ccc(Br)o1
InChIInChI=1S/C12H7BrN2O5/c13-9-4-3-8(19-9)12(16)18-6-10-14-15-11(20-10)7-2-1-5-17-7/h1-5H,6H2
InChIKeyDCIDKLZXCFWOQX-UHFFFAOYSA-N
MW339.10 g/mol
LogP3.04
Rot. Bonds4

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate (PubChem CID 8014045) has the molecular formula C12H7BrN2O5 and a molecular weight of 339.10 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
PubChem CID8014045
Molecular FormulaC12H7BrN2O5
Molecular Weight339.10 g/mol
Exact Mass337.95
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccco2)o1)c1ccc(Br)o1
InChIInChI=1S/C12H7BrN2O5/c13-9-4-3-8(19-9)12(16)18-6-10-14-15-11(20-10)7-2-1-5-17-7/h1-5H,6H2
InChIKeyDCIDKLZXCFWOQX-UHFFFAOYSA-N
XLogP3.04
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 53.04
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 5-nitrofuran-2-carboxylate
CID 9454803
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014044
[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 4-(trifluoromethyl)benzoate
CID 7838320
[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 3-phenylpropanoate
CID 7958020
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)propanoate
CID 8552674
[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-[(2-phenylacetyl)amino]acetate
CID 8523315
[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 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7830696

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate (CID 8014045) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate is O=C(OCc1nnc(-c2ccco2)o1)c1ccc(Br)o1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate?
The InChIKey is DCIDKLZXCFWOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O5/c13-9-4-3-8(19-9)12(16)18-6-10-14-15-11(20-10)7-2-1-5-17-7/h1-5H,6H2.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate has a molecular weight of 339.10 g/mol, XLogP of 3.04, 4 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 5-bromofuran-2-carboxylate is sourced from PubChem (CID 8014045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).