N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C17H12N4O3 — CID 110392213

IUPACN-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)Nc3ccccc3C#N)o2)cc1
InChIInChI=1S/C17H12N4O3/c1-23-13-8-6-11(7-9-13)16-20-21-17(24-16)15(22)19-14-5-3-2-4-12(14)10-18/h2-9H,1H3,(H,19,22)
InChIKeyXBJIENUKRJSIKM-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.87
Rot. Bonds4

About N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392213) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392213
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC NameN-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)Nc3ccccc3C#N)o2)cc1
InChIInChI=1S/C17H12N4O3/c1-23-13-8-6-11(7-9-13)16-20-21-17(24-16)15(22)19-14-5-3-2-4-12(14)10-18/h2-9H,1H3,(H,19,22)
InChIKeyXBJIENUKRJSIKM-UHFFFAOYSA-N
XLogP2.87
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392130
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392209
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391997
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391617
N-(2-cyanophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393519
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
N-(3-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392149

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392213) is N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccc(-c2nnc(C(=O)Nc3ccccc3C#N)o2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XBJIENUKRJSIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c1-23-13-8-6-11(7-9-13)16-20-21-17(24-16)15(22)19-14-5-3-2-4-12(14)10-18/h2-9H,1H3,(H,19,22).
What are the key properties of N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).