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

C19H21N3O6 — CID 7244007

IUPACN-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESCCOc1cc(-c2nnc(NC(=O)c3ccco3)o2)cc(OCC)c1OCC
InChIInChI=1S/C19H21N3O6/c1-4-24-14-10-12(11-15(25-5-2)16(14)26-6-3)18-21-22-19(28-18)20-17(23)13-8-7-9-27-13/h7-11H,4-6H2,1-3H3,(H,20,22,23)
InChIKeyMGYUPVDFCQNXMZ-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.78
Rot. Bonds9

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

N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 7244007) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID7244007
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC NameN-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESCCOc1cc(-c2nnc(NC(=O)c3ccco3)o2)cc(OCC)c1OCC
InChIInChI=1S/C19H21N3O6/c1-4-24-14-10-12(11-15(25-5-2)16(14)26-6-3)18-21-22-19(28-18)20-17(23)13-8-7-9-27-13/h7-11H,4-6H2,1-3H3,(H,20,22,23)
InChIKeyMGYUPVDFCQNXMZ-UHFFFAOYSA-N
XLogP3.78
TPSA108.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 7244007) is N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is CCOc1cc(-c2nnc(NC(=O)c3ccco3)o2)cc(OCC)c1OCC.
What is the InChIKey of N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is MGYUPVDFCQNXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-4-24-14-10-12(11-15(25-5-2)16(14)26-6-3)18-21-22-19(28-18)20-17(23)13-8-7-9-27-13/h7-11H,4-6H2,1-3H3,(H,20,22,23).
What are the key properties of N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7244007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).