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

C19H14Cl2N2O5 — CID 27370168

IUPACN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C19H14Cl2N2O5/c20-12-2-4-15(14(21)6-12)25-9-19(24)22-8-13-7-17(28-23-13)11-1-3-16-18(5-11)27-10-26-16/h1-7H,8-10H2,(H,22,24)
InChIKeyPQWGIEMTKQSICX-UHFFFAOYSA-N
MW421.24 g/mol
LogP4.07
Rot. Bonds6

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

N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 27370168) has the molecular formula C19H14Cl2N2O5 and a molecular weight of 421.24 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID27370168
Molecular FormulaC19H14Cl2N2O5
Molecular Weight421.24 g/mol
Exact Mass420.03
IUPAC NameN-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C19H14Cl2N2O5/c20-12-2-4-15(14(21)6-12)25-9-19(24)22-8-13-7-17(28-23-13)11-1-3-16-18(5-11)27-10-26-16/h1-7H,8-10H2,(H,22,24)
InChIKeyPQWGIEMTKQSICX-UHFFFAOYSA-N
XLogP4.07
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide with MolForge

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Related Compounds

N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 27370184
2-(2,4-dichlorophenoxy)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 30608039
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867291
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide
CID 71781908
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
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6143206
2-(2,4-dichlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2986657
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 110718005
2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 47290674
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 30850612
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide (CID 27370168) is N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCc1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is PQWGIEMTKQSICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O5/c20-12-2-4-15(14(21)6-12)25-9-19(24)22-8-13-7-17(28-23-13)11-1-3-16-18(5-11)27-10-26-16/h1-7H,8-10H2,(H,22,24).
What are the key properties of N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 421.24 g/mol, XLogP of 4.07, 6 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-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 27370168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).