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

C17H12N4O3 — CID 110392024

IUPACN-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)Nc3ccc(C#N)cc3)o2)c1
InChIInChI=1S/C17H12N4O3/c1-23-14-4-2-3-12(9-14)16-20-21-17(24-16)15(22)19-13-7-5-11(10-18)6-8-13/h2-9H,1H3,(H,19,22)
InChIKeyRLUJLMRYVXBMSO-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.87
Rot. Bonds4

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

N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392024) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392024
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC NameN-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cccc(-c2nnc(C(=O)Nc3ccc(C#N)cc3)o2)c1
InChIInChI=1S/C17H12N4O3/c1-23-14-4-2-3-12(9-14)16-20-21-17(24-16)15(22)19-13-7-5-11(10-18)6-8-13/h2-9H,1H3,(H,19,22)
InChIKeyRLUJLMRYVXBMSO-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-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391988
N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391027
5-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391990
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
5-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazole-2-carboxamide
CID 110392029
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391997
5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391484
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
N-(4-acetamidophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392549

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392024) is N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1cccc(-c2nnc(C(=O)Nc3ccc(C#N)cc3)o2)c1.
What is the InChIKey of N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RLUJLMRYVXBMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c1-23-14-4-2-3-12(9-14)16-20-21-17(24-16)15(22)19-13-7-5-11(10-18)6-8-13/h2-9H,1H3,(H,19,22).
What are the key properties of N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-(4-cyanophenyl)-5-(3-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-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).