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

C17H11ClN2O5 — CID 8554956

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2nnc(-c3ccco3)o2)oc2ccc(Cl)cc12
InChIInChI=1S/C17H11ClN2O5/c1-9-11-7-10(18)4-5-12(11)24-15(9)17(21)23-8-14-19-20-16(25-14)13-3-2-6-22-13/h2-7H,8H2,1H3
InChIKeyMXPIPYIPMOODSX-UHFFFAOYSA-N
MW358.74 g/mol
LogP4.39
Rot. Bonds4

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8554956) has the molecular formula C17H11ClN2O5 and a molecular weight of 358.74 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID8554956
Molecular FormulaC17H11ClN2O5
Molecular Weight358.74 g/mol
Exact Mass358.04
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2nnc(-c3ccco3)o2)oc2ccc(Cl)cc12
InChIInChI=1S/C17H11ClN2O5/c1-9-11-7-10(18)4-5-12(11)24-15(9)17(21)23-8-14-19-20-16(25-14)13-3-2-6-22-13/h2-7H,8H2,1H3
InChIKeyMXPIPYIPMOODSX-UHFFFAOYSA-N
XLogP4.39
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate with MolForge

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615694
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorobenzoyl)benzoate
CID 7812387
propyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 112724856
[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 2,3,4-trimethoxybenzoate
CID 8610388
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 55479274
[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
2-methylsulfanylethyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 78831811
(4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186927
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenoxybenzoate
CID 7985148
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554603

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate (CID 8554956) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCc2nnc(-c3ccco3)o2)oc2ccc(Cl)cc12.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is MXPIPYIPMOODSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O5/c1-9-11-7-10(18)4-5-12(11)24-15(9)17(21)23-8-14-19-20-16(25-14)13-3-2-6-22-13/h2-7H,8H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 358.74 g/mol, XLogP of 4.39, 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-chloro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8554956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).