1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide

C22H22ClN3O2 — CID 18089162

IUPAC1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C22H22ClN3O2/c23-18-8-6-16(7-9-18)20-14-24-21(28-20)15-26-12-10-17(11-13-26)22(27)25-19-4-2-1-3-5-19/h1-9,14,17H,10-13,15H2,(H,25,27)
InChIKeyHOAYGCZHOSFPTL-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.85
Rot. Bonds5

About 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide

1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 18089162) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
PubChem CID18089162
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C22H22ClN3O2/c23-18-8-6-16(7-9-18)20-14-24-21(28-20)15-26-12-10-17(11-13-26)22(27)25-19-4-2-1-3-5-19/h1-9,14,17H,10-13,15H2,(H,25,27)
InChIKeyHOAYGCZHOSFPTL-UHFFFAOYSA-N
XLogP4.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542755
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030493
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112798635
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619
N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 38326510
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 16601221
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
N-(4-bromophenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38157029

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide (CID 18089162) is 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is HOAYGCZHOSFPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-18-8-6-16(7-9-18)20-14-24-21(28-20)15-26-12-10-17(11-13-26)22(27)25-19-4-2-1-3-5-19/h1-9,14,17H,10-13,15H2,(H,25,27).
What are the key properties of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide?
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 18089162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).