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

C12H9N3O2 — CID 110686435

IUPACN-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1cocn1
InChIInChI=1S/C12H9N3O2/c13-6-9-3-1-2-4-11(9)15-12(16)5-10-7-17-8-14-10/h1-4,7-8H,5H2,(H,15,16)
InChIKeyMTKMTNZXUNIBEW-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.73
Rot. Bonds3

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

N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide (PubChem CID 110686435) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
PubChem CID110686435
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC NameN-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1cocn1
InChIInChI=1S/C12H9N3O2/c13-6-9-3-1-2-4-11(9)15-12(16)5-10-7-17-8-14-10/h1-4,7-8H,5H2,(H,15,16)
InChIKeyMTKMTNZXUNIBEW-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N-(2-morpholin-4-ylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686392
N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695411
N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107021013
2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
CID 16781296
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide
CID 41340467
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684247
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(5-chloro-2-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686353

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide (CID 110686435) is N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide is N#Cc1ccccc1NC(=O)Cc1cocn1.
What is the InChIKey of N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide?
The InChIKey is MTKMTNZXUNIBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-6-9-3-1-2-4-11(9)15-12(16)5-10-7-17-8-14-10/h1-4,7-8H,5H2,(H,15,16).
What are the key properties of N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide?
N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide has a molecular weight of 227.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 110686435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).