2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile

C17H21N4O+ — CID 5152099

IUPAC2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1NCC[NH+]1CCCCC1
InChIInChI=1S/C17H20N4O/c18-13-15-17(19-9-12-21-10-5-2-6-11-21)22-16(20-15)14-7-3-1-4-8-14/h1,3-4,7-8,19H,2,5-6,9-12H2/p+1
InChIKeyOGRPFJXLDRMBBN-UHFFFAOYSA-O
MW297.38 g/mol
LogP1.69
Rot. Bonds5

About 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile

2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 5152099) has the molecular formula C17H21N4O+ and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID5152099
Molecular FormulaC17H21N4O+
Molecular Weight297.38 g/mol
Exact Mass297.17
IUPAC Name2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1NCC[NH+]1CCCCC1
InChIInChI=1S/C17H20N4O/c18-13-15-17(19-9-12-21-10-5-2-6-11-21)22-16(20-15)14-7-3-1-4-8-14/h1,3-4,7-8,19H,2,5-6,9-12H2/p+1
InChIKeyOGRPFJXLDRMBBN-UHFFFAOYSA-O
XLogP1.69
TPSA66.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile 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

5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 51064692
2-(2-methoxyphenyl)-5-(2-morpholin-4-ium-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 7587606
5-(2-morpholin-4-ium-4-ylethylamino)-2-(4-propoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 2003052
5-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34925081
2-(3-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 73254074
2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[2-(dimethylamino)ethylamino]-1,3-oxazole-4-carbonitrile
CID 16646436
5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300372
3-[[4-cyano-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]amino]propanoic acid
CID 46300082
3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 39866576
5-[[(2S)-2-(4-fluorophenyl)pentyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 100829600
2-(4-tert-butylphenyl)-5-[3-(diethylamino)propylamino]-1,3-oxazole-4-carbonitrile
CID 2010643
5-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole-4-carbonitrile
CID 5163524

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 5152099) is 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2)oc1NCC[NH+]1CCCCC1.
What is the InChIKey of 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is OGRPFJXLDRMBBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20N4O/c18-13-15-17(19-9-12-21-10-5-2-6-11-21)22-16(20-15)14-7-3-1-4-8-14/h1,3-4,7-8,19H,2,5-6,9-12H2/p+1.
What are the key properties of 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile?
2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 297.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 5152099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).