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

C19H21N3O — CID 2963495

IUPAC5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
SMILESCC1CC(C)CN(c2oc(C=Cc3ccccc3)nc2C#N)C1
InChIInChI=1S/C19H21N3O/c1-14-10-15(2)13-22(12-14)19-17(11-20)21-18(23-19)9-8-16-6-4-3-5-7-16/h3-9,14-15H,10,12-13H2,1-2H3
InChIKeyIQOQVAJAPMZBIA-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.20
Rot. Bonds3

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

5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 2963495) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
PubChem CID2963495
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
SMILESCC1CC(C)CN(c2oc(C=Cc3ccccc3)nc2C#N)C1
InChIInChI=1S/C19H21N3O/c1-14-10-15(2)13-22(12-14)19-17(11-20)21-18(23-19)9-8-16-6-4-3-5-7-16/h3-9,14-15H,10,12-13H2,1-2H3
InChIKeyIQOQVAJAPMZBIA-UHFFFAOYSA-N
XLogP4.20
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 40761977
5-(4-methylpiperidin-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 18822627
5-(3,5-dimethylpiperidin-1-yl)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750728
5-morpholin-4-yl-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 2963497
5-(3-hydroxypiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 171131350
2-[2-(3-methoxyphenyl)ethenyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 4750470
5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
CID 946114
5-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
CID 171686389
5-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile
CID 171336540
2-(4-chlorophenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 935733
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 6200367
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 6200373

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile (CID 2963495) is 5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile is CC1CC(C)CN(c2oc(C=Cc3ccccc3)nc2C#N)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is IQOQVAJAPMZBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-10-15(2)13-22(12-14)19-17(11-20)21-18(23-19)9-8-16-6-4-3-5-7-16/h3-9,14-15H,10,12-13H2,1-2H3.
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile?
5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)-2-(2-phenylethenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2963495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).