2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide

C19H14Cl2N2O5 — CID 17253918

IUPAC2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H14Cl2N2O5/c20-13-2-1-3-14(19(13)21)22-18(24)9-25-8-12-7-16(28-23-12)11-4-5-15-17(6-11)27-10-26-15/h1-7H,8-10H2,(H,22,24)
InChIKeyZJUGSNKUBJFCRA-UHFFFAOYSA-N
MW421.24 g/mol
LogP4.53
Rot. Bonds6

About 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide

2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 17253918) has the molecular formula C19H14Cl2N2O5 and a molecular weight of 421.24 g/mol. Its IUPAC name is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide
PubChem CID17253918
Molecular FormulaC19H14Cl2N2O5
Molecular Weight421.24 g/mol
Exact Mass420.03
IUPAC Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H14Cl2N2O5/c20-13-2-1-3-14(19(13)21)22-18(24)9-25-8-12-7-16(28-23-12)11-4-5-15-17(6-11)27-10-26-15/h1-7H,8-10H2,(H,22,24)
InChIKeyZJUGSNKUBJFCRA-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 50757777
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 17253978
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide
CID 20906168
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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17253942
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 20906150
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 20906173
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 27370168
5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
CID 15988831
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 50757756
methyl 3-[[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]amino]thiophene-2-carboxylate
CID 17254056
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370128

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide (CID 17253918) is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide is O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is ZJUGSNKUBJFCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O5/c20-13-2-1-3-14(19(13)21)22-18(24)9-25-8-12-7-16(28-23-12)11-4-5-15-17(6-11)27-10-26-15/h1-7H,8-10H2,(H,22,24).
What are the key properties of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide?
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 421.24 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 17253918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).