N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide

C22H22N2O5 — CID 27370184

IUPACN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)cc1
InChIInChI=1S/C22H22N2O5/c1-14(2)15-3-6-18(7-4-15)26-12-22(25)23-11-17-10-20(29-24-17)16-5-8-19-21(9-16)28-13-27-19/h3-10,14H,11-13H2,1-2H3,(H,23,25)
InChIKeyGPPHALJNTPBXOC-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.89
Rot. Bonds7

About N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 27370184) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID27370184
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)cc1
InChIInChI=1S/C22H22N2O5/c1-14(2)15-3-6-18(7-4-15)26-12-22(25)23-11-17-10-20(29-24-17)16-5-8-19-21(9-16)28-13-27-19/h3-10,14H,11-13H2,1-2H3,(H,23,25)
InChIKeyGPPHALJNTPBXOC-UHFFFAOYSA-N
XLogP3.89
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)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-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 16866668
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 27370168
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867291
2-phenoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867528
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 16867168
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370128
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 17253886
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 50757777
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17358710
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 30850612
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 27370196

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 27370184) is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)cc1.
What is the InChIKey of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is GPPHALJNTPBXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14(2)15-3-6-18(7-4-15)26-12-22(25)23-11-17-10-20(29-24-17)16-5-8-19-21(9-16)28-13-27-19/h3-10,14H,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 394.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 27370184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).