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

C14H25N5O2 — CID 23554773

IUPAC6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(CN(C)CCN(C)C)CCc2ncoc21
InChIInChI=1S/C14H25N5O2/c1-15-12-13-11(16-9-21-13)5-6-19(14(12)20)10-18(4)8-7-17(2)3/h9,12,15H,5-8,10H2,1-4H3
InChIKeyVTKFSFCZYLNWLI-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.23
Rot. Bonds6

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

6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (PubChem CID 23554773) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.

Molecular Properties

Compound Name6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
PubChem CID23554773
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(CN(C)CCN(C)C)CCc2ncoc21
InChIInChI=1S/C14H25N5O2/c1-15-12-13-11(16-9-21-13)5-6-19(14(12)20)10-18(4)8-7-17(2)3/h9,12,15H,5-8,10H2,1-4H3
InChIKeyVTKFSFCZYLNWLI-UHFFFAOYSA-N
XLogP-0.23
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The IUPAC name of 6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (CID 23554773) is 6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.
What is the SMILES notation for 6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The canonical SMILES for 6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is CNC1C(=O)N(CN(C)CCN(C)C)CCc2ncoc21.
What is the InChIKey of 6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The InChIKey is VTKFSFCZYLNWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-15-12-13-11(16-9-21-13)5-6-19(14(12)20)10-18(4)8-7-17(2)3/h9,12,15H,5-8,10H2,1-4H3.
What are the key properties of 6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one has a molecular weight of 295.39 g/mol, XLogP of -0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)ethyl-methylamino]methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is sourced from PubChem (CID 23554773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).