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

C17H19N3O5 — CID 10427652

IUPACN-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide
SMILESCOc1ccc(C2=NOC(C)(C)N2NC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C17H19N3O5/c1-17(2)20(18-16(21)13-6-5-9-24-13)15(19-25-17)12-8-7-11(22-3)10-14(12)23-4/h5-10H,1-4H3,(H,18,21)
InChIKeyBLVUMYAMCZNSPU-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.37
Rot. Bonds5

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

N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide (PubChem CID 10427652) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide
PubChem CID10427652
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide
SMILESCOc1ccc(C2=NOC(C)(C)N2NC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C17H19N3O5/c1-17(2)20(18-16(21)13-6-5-9-24-13)15(19-25-17)12-8-7-11(22-3)10-14(12)23-4/h5-10H,1-4H3,(H,18,21)
InChIKeyBLVUMYAMCZNSPU-UHFFFAOYSA-N
XLogP2.37
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide (CID 10427652) is N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide is COc1ccc(C2=NOC(C)(C)N2NC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide?
The InChIKey is BLVUMYAMCZNSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-17(2)20(18-16(21)13-6-5-9-24-13)15(19-25-17)12-8-7-11(22-3)10-14(12)23-4/h5-10H,1-4H3,(H,18,21).
What are the key properties of N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide?
N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 10427652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).