N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide

C23H21N3O6 — CID 665858

IUPACN-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCOc1cc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O6/c1-28-18-11-14(12-19(29-2)20(18)30-3)21-25-23(32-26-21)17-9-5-4-8-16(17)22(27)24-13-15-7-6-10-31-15/h4-12H,13H2,1-3H3,(H,24,27)
InChIKeyYDRCPFFLLKJHOK-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.95
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide

N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 665858) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID665858
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCOc1cc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O6/c1-28-18-11-14(12-19(29-2)20(18)30-3)21-25-23(32-26-21)17-9-5-4-8-16(17)22(27)24-13-15-7-6-10-31-15/h4-12H,13H2,1-3H3,(H,24,27)
InChIKeyYDRCPFFLLKJHOK-UHFFFAOYSA-N
XLogP3.95
TPSA108.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 665858) is N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is COc1cc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is YDRCPFFLLKJHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c1-28-18-11-14(12-19(29-2)20(18)30-3)21-25-23(32-26-21)17-9-5-4-8-16(17)22(27)24-13-15-7-6-10-31-15/h4-12H,13H2,1-3H3,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 435.44 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 665858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).