N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide

C13H19N3O2 — CID 71848910

IUPACN-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCCCC(C#N)(CCC)NC(=O)Cc1ccon1
InChIInChI=1S/C13H19N3O2/c1-3-6-13(10-14,7-4-2)15-12(17)9-11-5-8-18-16-11/h5,8H,3-4,6-7,9H2,1-2H3,(H,15,17)
InChIKeyPLBZFWGSOKMFHY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.20
Rot. Bonds7

About N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide

N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 71848910) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
PubChem CID71848910
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCCCC(C#N)(CCC)NC(=O)Cc1ccon1
InChIInChI=1S/C13H19N3O2/c1-3-6-13(10-14,7-4-2)15-12(17)9-11-5-8-18-16-11/h5,8H,3-4,6-7,9H2,1-2H3,(H,15,17)
InChIKeyPLBZFWGSOKMFHY-UHFFFAOYSA-N
XLogP2.20
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide
CID 131134519
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 96560017
2-amino-2-methyl-N-(1,2-oxazol-3-ylmethyl)pentanamide
CID 81171219
N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide
CID 54041905
N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110863086
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
CID 109380934
N-(4-bromophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110859681
(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 119360778
N-(2-chlorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858749
N-(2-fluorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858552
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97096426

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide (CID 71848910) is N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide is CCCC(C#N)(CCC)NC(=O)Cc1ccon1.
What is the InChIKey of N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is PLBZFWGSOKMFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-6-13(10-14,7-4-2)15-12(17)9-11-5-8-18-16-11/h5,8H,3-4,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71848910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).