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

C21H17N3O3 — CID 3850364

IUPACN-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCc1cccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)c1
InChIInChI=1S/C21H17N3O3/c1-14-6-4-7-15(12-14)19-23-21(27-24-19)18-10-3-2-9-17(18)20(25)22-13-16-8-5-11-26-16/h2-12H,13H2,1H3,(H,22,25)
InChIKeyLWURLRWCYLHVRH-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.24
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 3850364) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID3850364
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCc1cccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)c1
InChIInChI=1S/C21H17N3O3/c1-14-6-4-7-15(12-14)19-23-21(27-24-19)18-10-3-2-9-17(18)20(25)22-13-16-8-5-11-26-16/h2-12H,13H2,1H3,(H,22,25)
InChIKeyLWURLRWCYLHVRH-UHFFFAOYSA-N
XLogP4.24
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 3850364) is N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide is Cc1cccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is LWURLRWCYLHVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14-6-4-7-15(12-14)19-23-21(27-24-19)18-10-3-2-9-17(18)20(25)22-13-16-8-5-11-26-16/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 3850364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).