2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide

C14H11Cl2N3O5 — CID 4594660

IUPAC2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nnc(C2=COCCO2)o1
InChIInChI=1S/C14H11Cl2N3O5/c15-8-1-2-10(9(16)5-8)23-7-12(20)17-14-19-18-13(24-14)11-6-21-3-4-22-11/h1-2,5-6H,3-4,7H2,(H,17,19,20)
InChIKeyTYSOYXAZUQDJLE-UHFFFAOYSA-N
MW372.16 g/mol
LogP2.74
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 4594660) has the molecular formula C14H11Cl2N3O5 and a molecular weight of 372.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID4594660
Molecular FormulaC14H11Cl2N3O5
Molecular Weight372.16 g/mol
Exact Mass371.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nnc(C2=COCCO2)o1
InChIInChI=1S/C14H11Cl2N3O5/c15-8-1-2-10(9(16)5-8)23-7-12(20)17-14-19-18-13(24-14)11-6-21-3-4-22-11/h1-2,5-6H,3-4,7H2,(H,17,19,20)
InChIKeyTYSOYXAZUQDJLE-UHFFFAOYSA-N
XLogP2.74
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 4594660) is 2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(C2=COCCO2)o1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is TYSOYXAZUQDJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O5/c15-8-1-2-10(9(16)5-8)23-7-12(20)17-14-19-18-13(24-14)11-6-21-3-4-22-11/h1-2,5-6H,3-4,7H2,(H,17,19,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 372.16 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 4594660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).