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

C20H29N3O3 — CID 87016615

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
SMILESCCCOCc1ccccc1CNC(=O)CN(C)Cc1c(C)noc1C
InChIInChI=1S/C20H29N3O3/c1-5-10-25-14-18-9-7-6-8-17(18)11-21-20(24)13-23(4)12-19-15(2)22-26-16(19)3/h6-9H,5,10-14H2,1-4H3,(H,21,24)
InChIKeySITVCSFKQXEXGC-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.97
Rot. Bonds10

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide (PubChem CID 87016615) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
PubChem CID87016615
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
SMILESCCCOCc1ccccc1CNC(=O)CN(C)Cc1c(C)noc1C
InChIInChI=1S/C20H29N3O3/c1-5-10-25-14-18-9-7-6-8-17(18)11-21-20(24)13-23(4)12-19-15(2)22-26-16(19)3/h6-9H,5,10-14H2,1-4H3,(H,21,24)
InChIKeySITVCSFKQXEXGC-UHFFFAOYSA-N
XLogP2.97
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87016607
2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87017404
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 60509470
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide
CID 120609341
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110909081
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(cyclopropylmethylamino)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734225
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419173

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide (CID 87016615) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide is CCCOCc1ccccc1CNC(=O)CN(C)Cc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The InChIKey is SITVCSFKQXEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-10-25-14-18-9-7-6-8-17(18)11-21-20(24)13-23(4)12-19-15(2)22-26-16(19)3/h6-9H,5,10-14H2,1-4H3,(H,21,24).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 87016615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).