3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

C18H17N3O4 — CID 51233804

IUPAC3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O4/c1-23-14-8-13(9-15(10-14)24-2)17(22)19-11-16-20-18(25-21-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyXDKDXODYGFWSIO-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.68
Rot. Bonds6

About 3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 51233804) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID51233804
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O4/c1-23-14-8-13(9-15(10-14)24-2)17(22)19-11-16-20-18(25-21-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyXDKDXODYGFWSIO-UHFFFAOYSA-N
XLogP2.68
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dimethoxybenzamide
CID 53049034
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
CID 162758998
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenylpropanamide
CID 53049102
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 53049075
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324
2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53049081
2,4-dimethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755960
5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide
CID 53049042
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 51233804) is 3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2noc(-c3ccccc3)n2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is XDKDXODYGFWSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-14-8-13(9-15(10-14)24-2)17(22)19-11-16-20-18(25-21-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 339.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 51233804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).