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

C21H17N3O4 — CID 665550

IUPACN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C21H17N3O4/c1-26-15-10-8-14(9-11-15)19-23-21(28-24-19)18-7-3-2-6-17(18)20(25)22-13-16-5-4-12-27-16/h2-12H,13H2,1H3,(H,22,25)
InChIKeyKDXXWFNSXWNNCJ-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.94
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 665550) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID665550
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C21H17N3O4/c1-26-15-10-8-14(9-11-15)19-23-21(28-24-19)18-7-3-2-6-17(18)20(25)22-13-16-5-4-12-27-16/h2-12H,13H2,1H3,(H,22,25)
InChIKeyKDXXWFNSXWNNCJ-UHFFFAOYSA-N
XLogP3.94
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 665550) is N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is COc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is KDXXWFNSXWNNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-26-15-10-8-14(9-11-15)19-23-21(28-24-19)18-7-3-2-6-17(18)20(25)22-13-16-5-4-12-27-16/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 375.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 665550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).