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

C28H36N4O3 — CID 3244155

IUPACN-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCCN(CCNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)cc3)oc2C)C1)c1ccccc1
InChIInChI=1S/C28H36N4O3/c1-4-32(24-10-6-5-7-11-24)18-16-29-27(33)23-9-8-17-31(19-23)20-26-21(2)35-28(30-26)22-12-14-25(34-3)15-13-22/h5-7,10-15,23H,4,8-9,16-20H2,1-3H3,(H,29,33)
InChIKeyYOYUUSBSHSOWDK-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.51
Rot. Bonds10

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

N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 3244155) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID3244155
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC NameN-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCCN(CCNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)cc3)oc2C)C1)c1ccccc1
InChIInChI=1S/C28H36N4O3/c1-4-32(24-10-6-5-7-11-24)18-16-29-27(33)23-9-8-17-31(19-23)20-26-21(2)35-28(30-26)22-12-14-25(34-3)15-13-22/h5-7,10-15,23H,4,8-9,16-20H2,1-3H3,(H,29,33)
InChIKeyYOYUUSBSHSOWDK-UHFFFAOYSA-N
XLogP4.51
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

3-(5-(4-Methoxyphenyl)-2-oxazolyl)pyridine
CID 928446
Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
N-[(2s)-2-[(2-Benzoylphenyl)amino]-3-{4-[2-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)ethoxy]phenyl}propyl]acetamide
CID 11635549
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
(2S)-2-(2-benzoylanilino)-3-[4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 10531248
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(2-methoxyphenyl)methyl]acetamide
CID 16007888
Cbz-Val-Pro-Val-(2-benzoxazole)
CID 10053241
5-(4-Methoxyphenyl)-N-(Pyridin-4-Ylmethyl)-1,3-Oxazole-4-Carboxamide
CID 56643097
1-[[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]methyl]-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide
CID 3236520
2-((S)-2-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-3-methyl-butyryl)-benzooxazole-5-carboxylic acid methyl ester
CID 10100215
2-((S)-3-Methyl-2-{[(S)-1-((S)-3-methyl-2-phenoxycarbonylamino-butyryl)-pyrrolidine-2-carbonyl]-amino}-butyryl)-benzooxazole-5-carboxylic acid methyl ester
CID 44337844
2-[(S)-2-({(S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-butyryl]-pyrrolidine-2-carbonyl}-amino)-3-methyl-butyryl]-benzooxazole-5-carboxylic acid methyl ester
CID 44338019

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (CID 3244155) is N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is CCN(CCNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)cc3)oc2C)C1)c1ccccc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is YOYUUSBSHSOWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-4-32(24-10-6-5-7-11-24)18-16-29-27(33)23-9-8-17-31(19-23)20-26-21(2)35-28(30-26)22-12-14-25(34-3)15-13-22/h5-7,10-15,23H,4,8-9,16-20H2,1-3H3,(H,29,33).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 3244155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).