N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane

C14H16N4O2 — CID 171818477

IUPACN-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane
SMILESCC.Cc1nc(CC(=O)Nc2cncc(C#N)c2)co1
InChIInChI=1S/C12H10N4O2.C2H6/c1-8-15-11(7-18-8)3-12(17)16-10-2-9(4-13)5-14-6-10;1-2/h2,5-7H,3H2,1H3,(H,16,17);1-2H3
InChIKeyRRQIBYCLFOFDJN-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.46
Rot. Bonds3

About N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane

N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane (PubChem CID 171818477) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane
PubChem CID171818477
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane
SMILESCC.Cc1nc(CC(=O)Nc2cncc(C#N)c2)co1
InChIInChI=1S/C12H10N4O2.C2H6/c1-8-15-11(7-18-8)3-12(17)16-10-2-9(4-13)5-14-6-10;1-2/h2,5-7H,3H2,1H3,(H,16,17);1-2H3
InChIKeyRRQIBYCLFOFDJN-UHFFFAOYSA-N
XLogP2.46
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyano-3-pyridinyl)urea
CID 159088018
butyl N-(5-cyano-3-pyridinyl)carbamate
CID 175706193
3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 110836055
N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686437
5-(tert-butylamino)pyridine-3-carbonitrile
CID 70316843
ethane;ethyl 5-cyanopyridine-3-carboxylate
CID 145385789
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51334670
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide
CID 110686464
N-(3-cyanophenyl)-2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide
CID 53014432
5-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 53252163

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane?
The IUPAC name of N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane (CID 171818477) is N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane.
What is the SMILES notation for N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane?
The canonical SMILES for N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane is CC.Cc1nc(CC(=O)Nc2cncc(C#N)c2)co1.
What is the InChIKey of N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane?
The InChIKey is RRQIBYCLFOFDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2.C2H6/c1-8-15-11(7-18-8)3-12(17)16-10-2-9(4-13)5-14-6-10;1-2/h2,5-7H,3H2,1H3,(H,16,17);1-2H3.
What are the key properties of N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane?
N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane has a molecular weight of 272.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-pyridinyl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide;ethane is sourced from PubChem (CID 171818477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).