8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one

C11H15N5O3 — CID 90840268

IUPAC8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(C2=NC(C)ON2)CCc2ncoc21
InChIInChI=1S/C11H15N5O3/c1-6-14-11(15-19-6)16-4-3-7-9(18-5-13-7)8(12-2)10(16)17/h5-6,8,12H,3-4H2,1-2H3,(H,14,15)
InChIKeyKTMACPYKJBDBKT-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.44
Rot. Bonds1

About 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one

8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (PubChem CID 90840268) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.

Molecular Properties

Compound Name8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
PubChem CID90840268
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(C2=NC(C)ON2)CCc2ncoc21
InChIInChI=1S/C11H15N5O3/c1-6-14-11(15-19-6)16-4-3-7-9(18-5-13-7)8(12-2)10(16)17/h5-6,8,12H,3-4H2,1-2H3,(H,14,15)
InChIKeyKTMACPYKJBDBKT-UHFFFAOYSA-N
XLogP-0.44
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The IUPAC name of 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (CID 90840268) is 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.
What is the SMILES notation for 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The canonical SMILES for 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is CNC1C(=O)N(C2=NC(C)ON2)CCc2ncoc21.
What is the InChIKey of 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The InChIKey is KTMACPYKJBDBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-6-14-11(15-19-6)16-4-3-7-9(18-5-13-7)8(12-2)10(16)17/h5-6,8,12H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one has a molecular weight of 265.27 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is sourced from PubChem (CID 90840268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).