8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C14H15N3O4 — CID 74243538

IUPAC8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(Cc3cccc4nonc34)CC2)O1
InChIInChI=1S/C14H15N3O4/c18-13-19-9-14(20-13)4-6-17(7-5-14)8-10-2-1-3-11-12(10)16-21-15-11/h1-3H,4-9H2
InChIKeyQMCBPVLEHDCDRH-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.72
Rot. Bonds2

About 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 74243538) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID74243538
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(Cc3cccc4nonc34)CC2)O1
InChIInChI=1S/C14H15N3O4/c18-13-19-9-14(20-13)4-6-17(7-5-14)8-10-2-1-3-11-12(10)16-21-15-11/h1-3H,4-9H2
InChIKeyQMCBPVLEHDCDRH-UHFFFAOYSA-N
XLogP1.72
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 74243538) is 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is O=C1OCC2(CCN(Cc3cccc4nonc34)CC2)O1.
What is the InChIKey of 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is QMCBPVLEHDCDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-13-19-9-14(20-13)4-6-17(7-5-14)8-10-2-1-3-11-12(10)16-21-15-11/h1-3H,4-9H2.
What are the key properties of 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 289.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,1,3-benzoxadiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 74243538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).