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

C16H17N3O2 — CID 726740

IUPAC2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2nc(C#N)c(N3CCCCC3)o2)cc1
InChIInChI=1S/C16H17N3O2/c1-20-13-7-5-12(6-8-13)15-18-14(11-17)16(21-15)19-9-3-2-4-10-19/h5-8H,2-4,9-10H2,1H3
InChIKeyPDWOLASWSYRIBX-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.21
Rot. Bonds3

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

2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 726740) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID726740
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2nc(C#N)c(N3CCCCC3)o2)cc1
InChIInChI=1S/C16H17N3O2/c1-20-13-7-5-12(6-8-13)15-18-14(11-17)16(21-15)19-9-3-2-4-10-19/h5-8H,2-4,9-10H2,1H3
InChIKeyPDWOLASWSYRIBX-UHFFFAOYSA-N
XLogP3.21
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (CID 726740) is 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is COc1ccc(-c2nc(C#N)c(N3CCCCC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is PDWOLASWSYRIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-20-13-7-5-12(6-8-13)15-18-14(11-17)16(21-15)19-9-3-2-4-10-19/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 726740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).