3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

C15H16N4O2 — CID 95200344

IUPAC3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCC(C)c1noc([C@@H](C)NC(=O)c2cccc(C#N)c2)n1
InChIInChI=1S/C15H16N4O2/c1-9(2)13-18-15(21-19-13)10(3)17-14(20)12-6-4-5-11(7-12)8-16/h4-7,9-10H,1-3H3,(H,17,20)/t10-/m1/s1
InChIKeyBHTCPJBMVASCFY-SNVBAGLBSA-N
MW284.32 g/mol
LogP2.56
Rot. Bonds4

About 3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 95200344) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID95200344
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCC(C)c1noc([C@@H](C)NC(=O)c2cccc(C#N)c2)n1
InChIInChI=1S/C15H16N4O2/c1-9(2)13-18-15(21-19-13)10(3)17-14(20)12-6-4-5-11(7-12)8-16/h4-7,9-10H,1-3H3,(H,17,20)/t10-/m1/s1
InChIKeyBHTCPJBMVASCFY-SNVBAGLBSA-N
XLogP2.56
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-acetylphenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 126447741
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3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
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3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
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3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
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3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
3-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 35905657
3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123390
3-cyano-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859806
3-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
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3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101658
3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 95379991

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 95200344) is 3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is CC(C)c1noc([C@@H](C)NC(=O)c2cccc(C#N)c2)n1.
What is the InChIKey of 3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is BHTCPJBMVASCFY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9(2)13-18-15(21-19-13)10(3)17-14(20)12-6-4-5-11(7-12)8-16/h4-7,9-10H,1-3H3,(H,17,20)/t10-/m1/s1.
What are the key properties of 3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 284.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 95200344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).