4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile

C13H13N3O — CID 65288463

IUPAC4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile
SMILESCCNCc1coc(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C13H13N3O/c1-2-15-8-12-9-17-13(16-12)11-5-3-10(7-14)4-6-11/h3-6,9,15H,2,8H2,1H3
InChIKeyHLLWZBUEPQWHLM-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.32
Rot. Bonds4

About 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile

4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile (PubChem CID 65288463) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile
PubChem CID65288463
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile
SMILESCCNCc1coc(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C13H13N3O/c1-2-15-8-12-9-17-13(16-12)11-5-3-10(7-14)4-6-11/h3-6,9,15H,2,8H2,1H3
InChIKeyHLLWZBUEPQWHLM-UHFFFAOYSA-N
XLogP2.32
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288509
1-[(4-cyanophenyl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111553432
N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81307525
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
CID 110884956
N-[[2-(3,4,5-trifluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288222
2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid
CID 62234615
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
N-[[2-(2,6-difluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288410
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288314
4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile
CID 166339062
3-[4-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]benzonitrile
CID 65287867
4-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanylmethyl]benzonitrile
CID 38639388

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile?
The IUPAC name of 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile (CID 65288463) is 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile?
The canonical SMILES for 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile is CCNCc1coc(-c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile?
The InChIKey is HLLWZBUEPQWHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-15-8-12-9-17-13(16-12)11-5-3-10(7-14)4-6-11/h3-6,9,15H,2,8H2,1H3.
What are the key properties of 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile?
4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile has a molecular weight of 227.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile is sourced from PubChem (CID 65288463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).