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

C27H33N3O3 — CID 3236520

IUPAC1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccccc4OC)CC3)c(C)o2)cc1
InChIInChI=1S/C27H33N3O3/c1-4-20-9-11-22(12-10-20)27-29-24(19(2)33-27)18-30-15-13-21(14-16-30)26(31)28-17-23-7-5-6-8-25(23)32-3/h5-12,21H,4,13-18H2,1-3H3,(H,28,31)
InChIKeyMBMSEQXNHWPJPP-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.75
Rot. Bonds8

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

1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 3236520) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID3236520
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccccc4OC)CC3)c(C)o2)cc1
InChIInChI=1S/C27H33N3O3/c1-4-20-9-11-22(12-10-20)27-29-24(19(2)33-27)18-30-15-13-21(14-16-30)26(31)28-17-23-7-5-6-8-25(23)32-3/h5-12,21H,4,13-18H2,1-3H3,(H,28,31)
InChIKeyMBMSEQXNHWPJPP-UHFFFAOYSA-N
XLogP4.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 3236520) is 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is CCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccccc4OC)CC3)c(C)o2)cc1.
What is the InChIKey of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MBMSEQXNHWPJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-4-20-9-11-22(12-10-20)27-29-24(19(2)33-27)18-30-15-13-21(14-16-30)26(31)28-17-23-7-5-6-8-25(23)32-3/h5-12,21H,4,13-18H2,1-3H3,(H,28,31).
What are the key properties of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3236520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).