5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

C24H25N3O2 — CID 1177296

IUPAC5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C24H25N3O2/c1-18-7-9-21(10-8-18)28-17-23-26-22(16-25)24(29-23)27-13-11-20(12-14-27)15-19-5-3-2-4-6-19/h2-10,20H,11-15,17H2,1H3
InChIKeyHJGDWXBSMXRWAB-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.89
Rot. Bonds6

About 5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile (PubChem CID 1177296) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
PubChem CID1177296
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C24H25N3O2/c1-18-7-9-21(10-8-18)28-17-23-26-22(16-25)24(29-23)27-13-11-20(12-14-27)15-19-5-3-2-4-6-19/h2-10,20H,11-15,17H2,1H3
InChIKeyHJGDWXBSMXRWAB-UHFFFAOYSA-N
XLogP4.89
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-benzylpiperidin-1-yl)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 18822814
5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 714112
5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 713880
1-[2-[(4-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxylic acid
CID 22300072
5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 73253928
1-[4-cyano-2-[(4-fluorophenoxy)methyl]-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 1080230
2-[(2-methylphenoxy)methyl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 751009
5-(4-benzylpiperidin-1-yl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200495
2-[(4-bromophenoxy)methyl]-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazole-4-carbonitrile
CID 1177321
2-[(4-bromophenoxy)methyl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 1177306
5-[(4-methylphenyl)methylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
CID 829684
5-(4-benzhydrylpiperazin-1-yl)-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 17013490

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile (CID 1177296) is 5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile is Cc1ccc(OCc2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)cc1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is HJGDWXBSMXRWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-7-9-21(10-8-18)28-17-23-26-22(16-25)24(29-23)27-13-11-20(12-14-27)15-19-5-3-2-4-6-19/h2-10,20H,11-15,17H2,1H3.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
5-(4-benzylpiperidin-1-yl)-2-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 387.48 g/mol, XLogP of 4.89, 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-[(4-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 1177296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).