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

C13H10ClN3O4 — CID 4165290

IUPAC3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C2=COCCO2)o1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClN3O4/c14-9-3-1-2-8(6-9)11(18)15-13-17-16-12(21-13)10-7-19-4-5-20-10/h1-3,6-7H,4-5H2,(H,15,17,18)
InChIKeyWEJPHKODMAWKIN-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.32
Rot. Bonds3

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

3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4165290) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4165290
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C2=COCCO2)o1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClN3O4/c14-9-3-1-2-8(6-9)11(18)15-13-17-16-12(21-13)10-7-19-4-5-20-10/h1-3,6-7H,4-5H2,(H,15,17,18)
InChIKeyWEJPHKODMAWKIN-UHFFFAOYSA-N
XLogP2.32
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4165290) is 3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(C2=COCCO2)o1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is WEJPHKODMAWKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c14-9-3-1-2-8(6-9)11(18)15-13-17-16-12(21-13)10-7-19-4-5-20-10/h1-3,6-7H,4-5H2,(H,15,17,18).
What are the key properties of 3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide?
3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 307.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4165290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).