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

C17H19N3OS — CID 4750728

IUPAC5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
SMILESCC1CC(C)CN(c2oc(C=Cc3cccs3)nc2C#N)C1
InChIInChI=1S/C17H19N3OS/c1-12-8-13(2)11-20(10-12)17-15(9-18)19-16(21-17)6-5-14-4-3-7-22-14/h3-7,12-13H,8,10-11H2,1-2H3
InChIKeyJEFYNVXXWVNDPR-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.26
Rot. Bonds3

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

5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 4750728) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
PubChem CID4750728
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
SMILESCC1CC(C)CN(c2oc(C=Cc3cccs3)nc2C#N)C1
InChIInChI=1S/C17H19N3OS/c1-12-8-13(2)11-20(10-12)17-15(9-18)19-16(21-17)6-5-14-4-3-7-22-14/h3-7,12-13H,8,10-11H2,1-2H3
InChIKeyJEFYNVXXWVNDPR-UHFFFAOYSA-N
XLogP4.26
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 2963495
5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750727
5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 40761977
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200494
5-(4-benzylpiperazin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2986342
5-(4-benzylpiperidin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200495
5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2989339
5-(4-methylpiperidin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 18822627
5-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 16647622
5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
CID 946114
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-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile (CID 4750728) is 5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile is CC1CC(C)CN(c2oc(C=Cc3cccs3)nc2C#N)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is JEFYNVXXWVNDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-8-13(2)11-20(10-12)17-15(9-18)19-16(21-17)6-5-14-4-3-7-22-14/h3-7,12-13H,8,10-11H2,1-2H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile?
5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 313.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 4750728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).