N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide

C17H16N6O2 — CID 156586706

IUPACN-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1cccc(-c2noc(CCCC(=O)Nc3nc[nH]c3C#N)n2)c1
InChIInChI=1S/C17H16N6O2/c1-11-4-2-5-12(8-11)16-22-15(25-23-16)7-3-6-14(24)21-17-13(9-18)19-10-20-17/h2,4-5,8,10H,3,6-7H2,1H3,(H,19,20)(H,21,24)
InChIKeyUIULMCVIZPCUCT-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.60
Rot. Bonds6

About N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 156586706) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID156586706
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC NameN-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1cccc(-c2noc(CCCC(=O)Nc3nc[nH]c3C#N)n2)c1
InChIInChI=1S/C17H16N6O2/c1-11-4-2-5-12(8-11)16-22-15(25-23-16)7-3-6-14(24)21-17-13(9-18)19-10-20-17/h2,4-5,8,10H,3,6-7H2,1H3,(H,19,20)(H,21,24)
InChIKeyUIULMCVIZPCUCT-UHFFFAOYSA-N
XLogP2.60
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2981927
N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101299
ethyl 4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate
CID 17101301
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
CID 46265246
N-(4-iodophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758297
N-(3-bromophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99773154
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)propanamide
CID 3485886
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]butanamide
CID 131949873
N-(2,2-dimethylpropyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758647
ethyl 4-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 666398
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-2-pyridinyl)butanamide
CID 55650824

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 156586706) is N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is Cc1cccc(-c2noc(CCCC(=O)Nc3nc[nH]c3C#N)n2)c1.
What is the InChIKey of N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is UIULMCVIZPCUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-11-4-2-5-12(8-11)16-22-15(25-23-16)7-3-6-14(24)21-17-13(9-18)19-10-20-17/h2,4-5,8,10H,3,6-7H2,1H3,(H,19,20)(H,21,24).
What are the key properties of N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 336.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1H-imidazol-4-yl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 156586706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).