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

C17H15N3O4 — CID 691744

IUPAC3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C17H15N3O4/c1-22-13-9-8-12(10-14(13)23-2)15(21)18-17-20-19-16(24-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,20,21)
InChIKeyURAQITAQCVQHLP-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.01
Rot. Bonds5

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

3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 691744) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID691744
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1OC
InChIInChI=1S/C17H15N3O4/c1-22-13-9-8-12(10-14(13)23-2)15(21)18-17-20-19-16(24-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,20,21)
InChIKeyURAQITAQCVQHLP-UHFFFAOYSA-N
XLogP3.01
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 4443990
5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 356902
4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide
CID 3303968
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]butanamide
CID 5058055
3-fluoro-N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4626316
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 5076360
(5-Amino-3-p-tolyl-[1,2,4]triazol-1-yl)-(3,4-dimethoxy-phenyl)-methanone
CID 654458
1-(3,4-dimethoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 975107
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 2104218
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
CID 2124393
4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3404474

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 691744) is 3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is URAQITAQCVQHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-22-13-9-8-12(10-14(13)23-2)15(21)18-17-20-19-16(24-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,20,21).
What are the key properties of 3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 325.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 691744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).