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

C19H27N3O3 — CID 87016607

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)CN(C)Cc2c(C)noc2C)cc1
InChIInChI=1S/C19H27N3O3/c1-5-10-24-17-8-6-16(7-9-17)11-20-19(23)13-22(4)12-18-14(2)21-25-15(18)3/h6-9H,5,10-13H2,1-4H3,(H,20,23)
InChIKeySGYCGTIPXLBLMU-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.83
Rot. Bonds9

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 87016607) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID87016607
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)CN(C)Cc2c(C)noc2C)cc1
InChIInChI=1S/C19H27N3O3/c1-5-10-24-17-8-6-16(7-9-17)11-20-19(23)13-22(4)12-18-14(2)21-25-15(18)3/h6-9H,5,10-13H2,1-4H3,(H,20,23)
InChIKeySGYCGTIPXLBLMU-UHFFFAOYSA-N
XLogP2.83
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87016615
N-[2-(3-chlorophenoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 60509470
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 78790279
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302891
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-propoxyphenyl)methanesulfonamide
CID 75474791
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 41378355
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 47862506
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 26555263

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide (CID 87016607) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)CN(C)Cc2c(C)noc2C)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is SGYCGTIPXLBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-10-24-17-8-6-16(7-9-17)11-20-19(23)13-22(4)12-18-14(2)21-25-15(18)3/h6-9H,5,10-13H2,1-4H3,(H,20,23).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.83, 9 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-[(4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 87016607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).