5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

C13H13N3OS — CID 892069

IUPAC5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCCCC1
InChIInChI=1S/C13H13N3OS/c14-9-10-13(16-6-2-1-3-7-16)17-12(15-10)11-5-4-8-18-11/h4-5,8H,1-3,6-7H2
InChIKeyUSDWPLDSRVWMIZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.27
Rot. Bonds2

About 5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile

5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (PubChem CID 892069) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
PubChem CID892069
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccs2)oc1N1CCCCC1
InChIInChI=1S/C13H13N3OS/c14-9-10-13(16-6-2-1-3-7-16)17-12(15-10)11-5-4-8-18-11/h4-5,8H,1-3,6-7H2
InChIKeyUSDWPLDSRVWMIZ-UHFFFAOYSA-N
XLogP3.27
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-piperidin-1-yl-2-thiophen-2-yl-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

(2R,6S)-2,6-dimethyl-4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}morpholine
CID 16188352
3-Ethyl-4-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}piperazin-2-one
CID 16188734
5-(Allylamino)-2-(2-thienyl)-1,3-oxazole-4-carbonitrile
CID 1986205
5-{[2-(Morpholin-4-yl)ethyl]amino}-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661062
5-[(2-Phenylethyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661185
5-(Benzylamino)-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661217
5-(Dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 661233
5-(4-Phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891859
5-[(4-Methylphenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891939
5-(4-Morpholinyl)-2-thiophen-2-yl-4-oxazolecarbonitrile
CID 892396
5-(4-Benzyl-1-piperazinyl)-2-(2-thienyl)-1,3-oxazole-4-carbonitrile
CID 1978771
N-cyclopropyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 9551328

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile (CID 892069) is 5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccs2)oc1N1CCCCC1.
What is the InChIKey of 5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is USDWPLDSRVWMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-9-10-13(16-6-2-1-3-7-16)17-12(15-10)11-5-4-8-18-11/h4-5,8H,1-3,6-7H2.
What are the key properties of 5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile?
5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 259.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 892069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).