2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide

C18H22ClN3O4 — CID 42769178

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)CCN(CC(=O)Nc1ccon1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O4/c1-13(2)7-9-22(11-17(23)20-16-8-10-26-21-16)18(24)12-25-15-5-3-14(19)4-6-15/h3-6,8,10,13H,7,9,11-12H2,1-2H3,(H,20,21,23)
InChIKeyAXFZZYWWJSPUBM-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.22
Rot. Bonds9

About 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide

2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 42769178) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID42769178
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)CCN(CC(=O)Nc1ccon1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O4/c1-13(2)7-9-22(11-17(23)20-16-8-10-26-21-16)18(24)12-25-15-5-3-14(19)4-6-15/h3-6,8,10,13H,7,9,11-12H2,1-2H3,(H,20,21,23)
InChIKeyAXFZZYWWJSPUBM-UHFFFAOYSA-N
XLogP3.22
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide 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

2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768886
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 4087473
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768959
4-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4179187
2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769320
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
(3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide
CID 7301914
N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide
CID 3531170
2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768973
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986712
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]pentanamide
CID 42769137

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide (CID 42769178) is 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide is CC(C)CCN(CC(=O)Nc1ccon1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is AXFZZYWWJSPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-13(2)7-9-22(11-17(23)20-16-8-10-26-21-16)18(24)12-25-15-5-3-14(19)4-6-15/h3-6,8,10,13H,7,9,11-12H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 379.84 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).