N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

C17H12N4O2 — CID 46292631

IUPACN-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)no1
InChIInChI=1S/C17H12N4O2/c1-11-19-16(21-23-11)13-4-6-14(7-5-13)17(22)20-15-8-2-12(10-18)3-9-15/h2-9H,1H3,(H,20,22)
InChIKeyHXAAZRJSRCNMIF-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.17
Rot. Bonds3

About N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 46292631) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID46292631
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)no1
InChIInChI=1S/C17H12N4O2/c1-11-19-16(21-23-11)13-4-6-14(7-5-13)17(22)20-15-8-2-12(10-18)3-9-15/h2-9H,1H3,(H,20,22)
InChIKeyHXAAZRJSRCNMIF-UHFFFAOYSA-N
XLogP3.17
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 168523907
4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53078613
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
1-(4-bromophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361356
N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
CID 35521844
2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155489
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-cyanophenyl)benzamide
CID 46288596
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026171
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (CID 46292631) is N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is Cc1nc(-c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)no1.
What is the InChIKey of N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is HXAAZRJSRCNMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-11-19-16(21-23-11)13-4-6-14(7-5-13)17(22)20-15-8-2-12(10-18)3-9-15/h2-9H,1H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 304.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 46292631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).