N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

C27H33N3O2 — CID 20918051

IUPACN-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCCc1ccc(-c2nc(CN3CCC(C(=O)Nc4c(C)cccc4C)CC3)c(C)o2)cc1
InChIInChI=1S/C27H33N3O2/c1-5-21-9-11-23(12-10-21)27-28-24(20(4)32-27)17-30-15-13-22(14-16-30)26(31)29-25-18(2)7-6-8-19(25)3/h6-12,22H,5,13-17H2,1-4H3,(H,29,31)
InChIKeyOKNXEGSWCKRCAF-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.68
Rot. Bonds6

About N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 20918051) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID20918051
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCCc1ccc(-c2nc(CN3CCC(C(=O)Nc4c(C)cccc4C)CC3)c(C)o2)cc1
InChIInChI=1S/C27H33N3O2/c1-5-21-9-11-23(12-10-21)27-28-24(20(4)32-27)17-30-15-13-22(14-16-30)26(31)29-25-18(2)7-6-8-19(25)3/h6-12,22H,5,13-17H2,1-4H3,(H,29,31)
InChIKeyOKNXEGSWCKRCAF-UHFFFAOYSA-N
XLogP5.68
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 6619545
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 6620480
N-butyl-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859867
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
[1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 122176558
N-[1-(4-butoxyphenyl)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20968872
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 122175211
N-butyl-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859816
1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20859767
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 122175271
1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propyl]piperidine-4-carboxamide
CID 143974460
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92662416

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (CID 20918051) is N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is CCc1ccc(-c2nc(CN3CCC(C(=O)Nc4c(C)cccc4C)CC3)c(C)o2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is OKNXEGSWCKRCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-5-21-9-11-23(12-10-21)27-28-24(20(4)32-27)17-30-15-13-22(14-16-30)26(31)29-25-18(2)7-6-8-19(25)3/h6-12,22H,5,13-17H2,1-4H3,(H,29,31).
What are the key properties of N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20918051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).