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

C27H33ClN4O2 — CID 3239890

IUPAC1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide
SMILESCCN(CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1)c1ccccc1
InChIInChI=1S/C27H33ClN4O2/c1-3-32(24-7-5-4-6-8-24)18-15-29-26(33)21-13-16-31(17-14-21)19-25-20(2)34-27(30-25)22-9-11-23(28)12-10-22/h4-12,21H,3,13-19H2,1-2H3,(H,29,33)
InChIKeyFPINGFDOQFIVJE-UHFFFAOYSA-N
MW481.04 g/mol
LogP5.16
Rot. Bonds9

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

1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide (PubChem CID 3239890) has the molecular formula C27H33ClN4O2 and a molecular weight of 481.04 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide
PubChem CID3239890
Molecular FormulaC27H33ClN4O2
Molecular Weight481.04 g/mol
Exact Mass480.23
IUPAC Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide
SMILESCCN(CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1)c1ccccc1
InChIInChI=1S/C27H33ClN4O2/c1-3-32(24-7-5-4-6-8-24)18-15-29-26(33)21-13-16-31(17-14-21)19-25-20(2)34-27(30-25)22-9-11-23(28)12-10-22/h4-12,21H,3,13-19H2,1-2H3,(H,29,33)
InChIKeyFPINGFDOQFIVJE-UHFFFAOYSA-N
XLogP5.16
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.04
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]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-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide (CID 3239890) is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide is CCN(CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1)c1ccccc1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is FPINGFDOQFIVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O2/c1-3-32(24-7-5-4-6-8-24)18-15-29-26(33)21-13-16-31(17-14-21)19-25-20(2)34-27(30-25)22-9-11-23(28)12-10-22/h4-12,21H,3,13-19H2,1-2H3,(H,29,33).
What are the key properties of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide?
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 481.04 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(N-ethylanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3239890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).