N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide

C17H22ClN3O3 — CID 60509470

IUPACN-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
SMILESCc1noc(C)c1CN(C)CC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3O3/c1-12-16(13(2)24-20-12)10-21(3)11-17(22)19-7-8-23-15-6-4-5-14(18)9-15/h4-6,9H,7-8,10-11H2,1-3H3,(H,19,22)
InChIKeyBFOCSYBSUBTYPV-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.57
Rot. Bonds8

About N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide

N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide (PubChem CID 60509470) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
PubChem CID60509470
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
SMILESCc1noc(C)c1CN(C)CC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3O3/c1-12-16(13(2)24-20-12)10-21(3)11-17(22)19-7-8-23-15-6-4-5-14(18)9-15/h4-6,9H,7-8,10-11H2,1-3H3,(H,19,22)
InChIKeyBFOCSYBSUBTYPV-UHFFFAOYSA-N
XLogP2.57
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]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

N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87016607
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17448221
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 78790279
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenoxyethyl)acetamide
CID 18087939
2-(3-chlorophenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 8850253
N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 51122290
4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19444042
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87016615
3-(3-chlorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 47172079
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide (CID 60509470) is N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide is Cc1noc(C)c1CN(C)CC(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is BFOCSYBSUBTYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-12-16(13(2)24-20-12)10-21(3)11-17(22)19-7-8-23-15-6-4-5-14(18)9-15/h4-6,9H,7-8,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide?
N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 351.83 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 60509470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).