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

C18H21ClN4O3 — CID 70785942

IUPAC1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C18H21ClN4O3/c19-14-3-1-12(2-4-14)16-9-15(22-26-16)10-21-18(25)13-5-7-23(8-6-13)11-17(20)24/h1-4,9,13H,5-8,10-11H2,(H2,20,24)(H,21,25)
InChIKeyNQNQVZABFQEITE-UHFFFAOYSA-N
MW376.84 g/mol
LogP1.81
Rot. Bonds6

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

1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 70785942) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
PubChem CID70785942
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C18H21ClN4O3/c19-14-3-1-12(2-4-14)16-9-15(22-26-16)10-21-18(25)13-5-7-23(8-6-13)11-17(20)24/h1-4,9,13H,5-8,10-11H2,(H2,20,24)(H,21,25)
InChIKeyNQNQVZABFQEITE-UHFFFAOYSA-N
XLogP1.81
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]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

Related Compounds

1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide
CID 16878731
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909165
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866958
(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25410147
4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16866721
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370128

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide (CID 70785942) is 1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide is NC(=O)CN1CCC(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is NQNQVZABFQEITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c19-14-3-1-12(2-4-14)16-9-15(22-26-16)10-21-18(25)13-5-7-23(8-6-13)11-17(20)24/h1-4,9,13H,5-8,10-11H2,(H2,20,24)(H,21,25).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 70785942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).