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

C15H17N5O2 — CID 144935634

IUPAC2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1nc(C(C)NC(=O)CNc2ccc(C#N)cc2C)no1
InChIInChI=1S/C15H17N5O2/c1-9-6-12(7-16)4-5-13(9)17-8-14(21)18-10(2)15-19-11(3)22-20-15/h4-6,10,17H,8H2,1-3H3,(H,18,21)
InChIKeyCFQJQNKTFKGEFR-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.85
Rot. Bonds5

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

2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 144935634) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID144935634
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1nc(C(C)NC(=O)CNc2ccc(C#N)cc2C)no1
InChIInChI=1S/C15H17N5O2/c1-9-6-12(7-16)4-5-13(9)17-8-14(21)18-10(2)15-19-11(3)22-20-15/h4-6,10,17H,8H2,1-3H3,(H,18,21)
InChIKeyCFQJQNKTFKGEFR-UHFFFAOYSA-N
XLogP1.85
TPSA103.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
CID 60929299
2-(4-cyano-2-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 99637714
2-(4-cyano-2-fluoroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 99637713
2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 78916121
2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
CID 47475199
2-(5-cyano-2-methylanilino)-N-ethylacetamide
CID 62059546
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
CID 104843738
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
2-(5-cyano-2-nitroanilino)-N-propan-2-ylacetamide
CID 104713474
3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 95200344
7-(4-cyano-2-methylanilino)heptanoic acid
CID 54934556
N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
CID 104848764

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 144935634) is 2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is Cc1nc(C(C)NC(=O)CNc2ccc(C#N)cc2C)no1.
What is the InChIKey of 2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is CFQJQNKTFKGEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-6-12(7-16)4-5-13(9)17-8-14(21)18-10(2)15-19-11(3)22-20-15/h4-6,10,17H,8H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 144935634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).