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

C12H9N3O2 — CID 110686437

IUPACN-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2cocn2)cc1
InChIInChI=1S/C12H9N3O2/c13-6-9-1-3-10(4-2-9)15-12(16)5-11-7-17-8-14-11/h1-4,7-8H,5H2,(H,15,16)
InChIKeyQJCLXLCBXLKKKB-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.73
Rot. Bonds3

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

N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide (PubChem CID 110686437) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
PubChem CID110686437
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC NameN-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cc2cocn2)cc1
InChIInChI=1S/C12H9N3O2/c13-6-9-1-3-10(4-2-9)15-12(16)5-11-7-17-8-14-11/h1-4,7-8H,5H2,(H,15,16)
InChIKeyQJCLXLCBXLKKKB-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

2-(1,3-oxazol-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 110686369
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(3-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686325
N-(4-cyanophenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 24855407
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
2-(1,3-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110686374
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
CID 138582546
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542
N-(4-cyanophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787570
N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 26703210
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide (CID 110686437) is N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide is N#Cc1ccc(NC(=O)Cc2cocn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide?
The InChIKey is QJCLXLCBXLKKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-6-9-1-3-10(4-2-9)15-12(16)5-11-7-17-8-14-11/h1-4,7-8H,5H2,(H,15,16).
What are the key properties of N-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide?
N-(4-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-(4-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 110686437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).