2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide

C13H11N3O2 — CID 55128778

IUPAC2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)C(C#N)c2ccccc2)on1
InChIInChI=1S/C13H11N3O2/c1-9-7-12(18-16-9)15-13(17)11(8-14)10-5-3-2-4-6-10/h2-7,11H,1H3,(H,15,17)
InChIKeyMIWPDYXZVOVIQE-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.23
Rot. Bonds3

About 2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide

2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide (PubChem CID 55128778) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide
PubChem CID55128778
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)C(C#N)c2ccccc2)on1
InChIInChI=1S/C13H11N3O2/c1-9-7-12(18-16-9)15-13(17)11(8-14)10-5-3-2-4-6-10/h2-7,11H,1H3,(H,15,17)
InChIKeyMIWPDYXZVOVIQE-UHFFFAOYSA-N
XLogP2.23
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
CID 107574565
2-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylacetamide
CID 114387927
2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
CID 62876848
N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
CID 63334572
2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide
CID 107588694
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
CID 107625909
N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide
CID 45284604
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide (CID 55128778) is 2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide is Cc1cc(NC(=O)C(C#N)c2ccccc2)on1.
What is the InChIKey of 2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The InChIKey is MIWPDYXZVOVIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-9-7-12(18-16-9)15-13(17)11(8-14)10-5-3-2-4-6-10/h2-7,11H,1H3,(H,15,17).
What are the key properties of 2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide?
2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide has a molecular weight of 241.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 55128778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).