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

C14H13N3O5 — CID 4086968

IUPACN-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1
InChIInChI=1S/C14H13N3O5/c1-19-10-4-2-9(3-5-10)12(18)15-14-17-16-13(22-14)11-8-20-6-7-21-11/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyBDCATGRRINPCJR-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.68
Rot. Bonds4

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

N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide (PubChem CID 4086968) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
PubChem CID4086968
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC NameN-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1
InChIInChI=1S/C14H13N3O5/c1-19-10-4-2-9(3-5-10)12(18)15-14-17-16-13(22-14)11-8-20-6-7-21-11/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyBDCATGRRINPCJR-UHFFFAOYSA-N
XLogP1.68
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide (CID 4086968) is N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
The InChIKey is BDCATGRRINPCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-19-10-4-2-9(3-5-10)12(18)15-14-17-16-13(22-14)11-8-20-6-7-21-11/h2-5,8H,6-7H2,1H3,(H,15,17,18).
What are the key properties of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide?
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide has a molecular weight of 303.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 4086968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).