2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide

C11H16N4O2 — CID 106417471

IUPAC2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
SMILESCCCC(C#N)C(=O)NCCc1nc(C)no1
InChIInChI=1S/C11H16N4O2/c1-3-4-9(7-12)11(16)13-6-5-10-14-8(2)15-17-10/h9H,3-6H2,1-2H3,(H,13,16)
InChIKeyYXOZGSMWGILDMN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.98
Rot. Bonds6

About 2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide

2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide (PubChem CID 106417471) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
PubChem CID106417471
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
SMILESCCCC(C#N)C(=O)NCCc1nc(C)no1
InChIInChI=1S/C11H16N4O2/c1-3-4-9(7-12)11(16)13-6-5-10-14-8(2)15-17-10/h9H,3-6H2,1-2H3,(H,13,16)
InChIKeyYXOZGSMWGILDMN-UHFFFAOYSA-N
XLogP0.98
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide
CID 106417469
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106415376
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 106420645
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
2-(aminomethyl)-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 107269486
2-iodo-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 89148487
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103810155
3-(ethylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106416378
2-amino-5-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 114186098
3-[ethyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]butanoic acid
CID 106420546
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The IUPAC name of 2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide (CID 106417471) is 2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The canonical SMILES for 2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide is CCCC(C#N)C(=O)NCCc1nc(C)no1.
What is the InChIKey of 2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
The InChIKey is YXOZGSMWGILDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-4-9(7-12)11(16)13-6-5-10-14-8(2)15-17-10/h9H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide?
2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide has a molecular weight of 236.27 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 106417471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).