N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide

C17H17N3O5 — CID 6494714

IUPACN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(-c2noc(CNC(=O)c3ccoc3C)n2)cc1OC
InChIInChI=1S/C17H17N3O5/c1-10-12(6-7-24-10)17(21)18-9-15-19-16(20-25-15)11-4-5-13(22-2)14(8-11)23-3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyXNCGBMLGWZKJLV-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.59
Rot. Bonds6

About N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide

N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 6494714) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide
PubChem CID6494714
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(-c2noc(CNC(=O)c3ccoc3C)n2)cc1OC
InChIInChI=1S/C17H17N3O5/c1-10-12(6-7-24-10)17(21)18-9-15-19-16(20-25-15)11-4-5-13(22-2)14(8-11)23-3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyXNCGBMLGWZKJLV-UHFFFAOYSA-N
XLogP2.59
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide (CID 6494714) is N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide is COc1ccc(-c2noc(CNC(=O)c3ccoc3C)n2)cc1OC.
What is the InChIKey of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is XNCGBMLGWZKJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-10-12(6-7-24-10)17(21)18-9-15-19-16(20-25-15)11-4-5-13(22-2)14(8-11)23-3/h4-8H,9H2,1-3H3,(H,18,21).
What are the key properties of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6494714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).