2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H22ClN3O4 — CID 42768886

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CC(C)C)C(=O)COc2ccc(Cl)cc2)no1
InChIInChI=1S/C18H22ClN3O4/c1-12(2)9-22(10-17(23)20-16-8-13(3)26-21-16)18(24)11-25-15-6-4-14(19)5-7-15/h4-8,12H,9-11H2,1-3H3,(H,20,21,23)
InChIKeyDJPOWNYCESAEQE-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.14
Rot. Bonds8

About 2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42768886) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID42768886
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CC(C)C)C(=O)COc2ccc(Cl)cc2)no1
InChIInChI=1S/C18H22ClN3O4/c1-12(2)9-22(10-17(23)20-16-8-13(3)26-21-16)18(24)11-25-15-6-4-14(19)5-7-15/h4-8,12H,9-11H2,1-3H3,(H,20,21,23)
InChIKeyDJPOWNYCESAEQE-UHFFFAOYSA-N
XLogP3.14
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768959
2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768892
3-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)butanamide
CID 42768880
4-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4179187
2-[[2-(4-chlorophenoxy)acetyl]-(3-methylbutyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769178
2-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813520
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenoxyacetyl)-propylamino]acetamide
CID 4117230
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 134002588
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986712
4-chloro-N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770323
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769235

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42768886) is 2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(CC(C)C)C(=O)COc2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DJPOWNYCESAEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-12(2)9-22(10-17(23)20-16-8-13(3)26-21-16)18(24)11-25-15-6-4-14(19)5-7-15/h4-8,12H,9-11H2,1-3H3,(H,20,21,23).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 379.84 g/mol, XLogP of 3.14, 8 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]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42768886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).