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

C18H19N3O5 — CID 6494715

IUPACN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide
SMILESCOc1ccc(-c2noc(CN(C)C(=O)c3ccoc3C)n2)cc1OC
InChIInChI=1S/C18H19N3O5/c1-11-13(7-8-25-11)18(22)21(2)10-16-19-17(20-26-16)12-5-6-14(23-3)15(9-12)24-4/h5-9H,10H2,1-4H3
InChIKeyCORTXHSTDDHKDI-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.93
Rot. Bonds6

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

N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide (PubChem CID 6494715) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide
PubChem CID6494715
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide
SMILESCOc1ccc(-c2noc(CN(C)C(=O)c3ccoc3C)n2)cc1OC
InChIInChI=1S/C18H19N3O5/c1-11-13(7-8-25-11)18(22)21(2)10-16-19-17(20-26-16)12-5-6-14(23-3)15(9-12)24-4/h5-9H,10H2,1-4H3
InChIKeyCORTXHSTDDHKDI-UHFFFAOYSA-N
XLogP2.93
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
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]-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide (CID 6494715) is N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide is COc1ccc(-c2noc(CN(C)C(=O)c3ccoc3C)n2)cc1OC.
What is the InChIKey of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
The InChIKey is CORTXHSTDDHKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-11-13(7-8-25-11)18(22)21(2)10-16-19-17(20-26-16)12-5-6-14(23-3)15(9-12)24-4/h5-9H,10H2,1-4H3.
What are the key properties of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylfuran-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 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]-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 6494715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).