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

C23H23N3O2 — CID 661325

IUPAC5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(COc2ccccc2)oc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c24-16-21-23(28-22(25-21)17-27-20-9-5-2-6-10-20)26-13-11-19(12-14-26)15-18-7-3-1-4-8-18/h1-10,19H,11-15,17H2
InChIKeySRDOUQIRIKMGEV-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.58
Rot. Bonds6

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

5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 661325) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
PubChem CID661325
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(COc2ccccc2)oc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c24-16-21-23(28-22(25-21)17-27-20-9-5-2-6-10-20)26-13-11-19(12-14-26)15-18-7-3-1-4-8-18/h1-10,19H,11-15,17H2
InChIKeySRDOUQIRIKMGEV-UHFFFAOYSA-N
XLogP4.58
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-Methylphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 751000
2-[(2-Methoxyphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 751005
2-[(1E)-2-(3,4-dimethoxyphenyl)vinyl]-5-piperidyl-1,3-oxazole-4-carbonitrile
CID 5742226
2-[(3-Methylphenoxy)methyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 949872
5-(Ethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 645490
5-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
CID 649012
2-[(4-Fluorophenoxy)methyl]-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile
CID 654952
5-(4-Benzylpiperidin-1-yl)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 661297
5-(4-Benzylpiperazin-1-yl)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 661392
5-{[2-(4-Methoxyphenyl)ethyl]amino}-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
CID 661503
2-[(2-Fluorophenoxy)methyl]-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 661531
5-(4-Benzylpiperazin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 661551

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile (CID 661325) is 5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(COc2ccccc2)oc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is SRDOUQIRIKMGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-16-21-23(28-22(25-21)17-27-20-9-5-2-6-10-20)26-13-11-19(12-14-26)15-18-7-3-1-4-8-18/h1-10,19H,11-15,17H2.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile?
5-(4-benzylpiperidin-1-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 373.46 g/mol, XLogP of 4.58, 6 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-(phenoxymethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).