2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium

C12H15N4O2+ — CID 7562126

IUPAC2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNc1oc(-c2ccco2)nc1C#N
InChIInChI=1S/C12H14N4O2/c1-16(2)6-5-14-11-9(8-13)15-12(18-11)10-4-3-7-17-10/h3-4,7,14H,5-6H2,1-2H3/p+1
InChIKeyUXJCKTAISLWFFK-UHFFFAOYSA-O
MW247.28 g/mol
LogP0.36
Rot. Bonds5

About 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium

2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium (PubChem CID 7562126) has the molecular formula C12H15N4O2+ and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium
PubChem CID7562126
Molecular FormulaC12H15N4O2+
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNc1oc(-c2ccco2)nc1C#N
InChIInChI=1S/C12H14N4O2/c1-16(2)6-5-14-11-9(8-13)15-12(18-11)10-4-3-7-17-10/h3-4,7,14H,5-6H2,1-2H3/p+1
InChIKeyUXJCKTAISLWFFK-UHFFFAOYSA-O
XLogP0.36
TPSA79.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium 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

2-(furan-2-yl)-5-[2-(4-nitrophenyl)sulfanylethylamino]-1,3-oxazole-4-carbonitrile
CID 155943050
2-(furan-2-yl)-5-[[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 139582550
5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 121402470
2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 2218868
5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile
CID 694867
2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile
CID 2192066
2-(3-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 73254074
3-[[4-cyano-2-(2-methoxyphenyl)-1,3-oxazol-5-yl]amino]propyl-diethylazanium
CID 2014794
5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
CID 45148668
3-[[4-cyano-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]amino]propanoic acid
CID 46300082
5-(ethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 139582427
3-[[2-[(3-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]amino]propyl-dimethylazanium
CID 2016763

Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium (CID 7562126) is 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium is C[NH+](C)CCNc1oc(-c2ccco2)nc1C#N.
What is the InChIKey of 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium?
The InChIKey is UXJCKTAISLWFFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N4O2/c1-16(2)6-5-14-11-9(8-13)15-12(18-11)10-4-3-7-17-10/h3-4,7,14H,5-6H2,1-2H3/p+1.
What are the key properties of 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium?
2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium has a molecular weight of 247.28 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7562126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).