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

C23H23N3O2 — CID 664469

IUPAC5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1-c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1
InChIInChI=1S/C23H23N3O2/c1-27-21-10-6-5-9-19(21)22-25-20(16-24)23(28-22)26-13-11-18(12-14-26)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3
InChIKeyXUPFXRGHJNKSBT-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.68
Rot. Bonds5

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

5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 664469) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID664469
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccccc1-c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1
InChIInChI=1S/C23H23N3O2/c1-27-21-10-6-5-9-19(21)22-25-20(16-24)23(28-22)26-13-11-18(12-14-26)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3
InChIKeyXUPFXRGHJNKSBT-UHFFFAOYSA-N
XLogP4.68
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile (CID 664469) is 5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile is COc1ccccc1-c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is XUPFXRGHJNKSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-27-21-10-6-5-9-19(21)22-25-20(16-24)23(28-22)26-13-11-18(12-14-26)15-17-7-3-2-4-8-17/h2-10,18H,11-15H2,1H3.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 373.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-2-(2-methoxyphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).