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

C15H15N3OS — CID 4750727

IUPAC5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C=Cc2cccs2)oc1N1CCCCC1
InChIInChI=1S/C15H15N3OS/c16-11-13-15(18-8-2-1-3-9-18)19-14(17-13)7-6-12-5-4-10-20-12/h4-7,10H,1-3,8-9H2
InChIKeyREUJAJPJVCWDNF-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.77
Rot. Bonds3

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

5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 4750727) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
PubChem CID4750727
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C=Cc2cccs2)oc1N1CCCCC1
InChIInChI=1S/C15H15N3OS/c16-11-13-15(18-8-2-1-3-9-18)19-14(17-13)7-6-12-5-4-10-20-12/h4-7,10H,1-3,8-9H2
InChIKeyREUJAJPJVCWDNF-UHFFFAOYSA-N
XLogP3.77
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-benzylpiperazin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2986342
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200494
5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750728
5-(4-benzylpiperidin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200495
5-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647622
5-pyrrolidin-1-yl-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891606
5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2989339
5-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647635
5-(azepan-1-yl)-2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200473
5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 2963497
5-(butan-2-ylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750726
5-[[(2S)-butan-2-yl]amino]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 40726725

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile (CID 4750727) is 5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(C=Cc2cccs2)oc1N1CCCCC1.
What is the InChIKey of 5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is REUJAJPJVCWDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-11-13-15(18-8-2-1-3-9-18)19-14(17-13)7-6-12-5-4-10-20-12/h4-7,10H,1-3,8-9H2.
What are the key properties of 5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 285.37 g/mol, XLogP of 3.77, 3 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-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 4750727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).