2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide

C12H9N3O2 — CID 168520650

IUPAC2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1-c1cnco1
InChIInChI=1S/C12H9N3O2/c13-6-5-12(16)15-10-4-2-1-3-9(10)11-7-14-8-17-11/h1-4,7-8H,5H2,(H,15,16)
InChIKeyXJYUMYIOTSKXOL-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.19
Rot. Bonds3

About 2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide

2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide (PubChem CID 168520650) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide
PubChem CID168520650
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1-c1cnco1
InChIInChI=1S/C12H9N3O2/c13-6-5-12(16)15-10-4-2-1-3-9(10)11-7-14-8-17-11/h1-4,7-8H,5H2,(H,15,16)
InChIKeyXJYUMYIOTSKXOL-UHFFFAOYSA-N
XLogP2.19
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-oxazol-5-yl)phenyl]urea
CID 154339751
2-cyano-N-(2-pyridin-3-yloxyphenyl)acetamide
CID 168521073
2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 168521827
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
2-(1,3-oxazol-5-yl)phenol
CID 22723465
2-methyl-N-[2-[4-(1,3-oxazol-5-yl)phenyl]phenyl]prop-2-enamide
CID 67876263
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-cyano-N-dibenzofuran-1-ylacetamide
CID 168520368
1-(3-methyl-2H-pyrazin-1-yl)-3-[2-(1,3-oxazol-5-yl)phenyl]urea
CID 69055830
(E)-N-[2-[(2-cyanoacetyl)amino]phenyl]-4,4-dimethylpent-2-enamide
CID 108923032
2-cyano-N-(1H-indazol-7-yl)acetamide
CID 110470078
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide (CID 168520650) is 2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide is N#CCC(=O)Nc1ccccc1-c1cnco1.
What is the InChIKey of 2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide?
The InChIKey is XJYUMYIOTSKXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-6-5-12(16)15-10-4-2-1-3-9(10)11-7-14-8-17-11/h1-4,7-8H,5H2,(H,15,16).
What are the key properties of 2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide?
2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide has a molecular weight of 227.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 168520650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).