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

C11H17N3O3 — CID 23554785

IUPAC6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(CCOC)CCc2ncoc21
InChIInChI=1S/C11H17N3O3/c1-12-9-10-8(13-7-17-10)3-4-14(11(9)15)5-6-16-2/h7,9,12H,3-6H2,1-2H3
InChIKeyRSYBGSBAEMOWCZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.03
Rot. Bonds4

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

6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (PubChem CID 23554785) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.

Molecular Properties

Compound Name6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
PubChem CID23554785
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(CCOC)CCc2ncoc21
InChIInChI=1S/C11H17N3O3/c1-12-9-10-8(13-7-17-10)3-4-14(11(9)15)5-6-16-2/h7,9,12H,3-6H2,1-2H3
InChIKeyRSYBGSBAEMOWCZ-UHFFFAOYSA-N
XLogP-0.03
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The IUPAC name of 6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (CID 23554785) is 6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.
What is the SMILES notation for 6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The canonical SMILES for 6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is CNC1C(=O)N(CCOC)CCc2ncoc21.
What is the InChIKey of 6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The InChIKey is RSYBGSBAEMOWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-12-9-10-8(13-7-17-10)3-4-14(11(9)15)5-6-16-2/h7,9,12H,3-6H2,1-2H3.
What are the key properties of 6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one has a molecular weight of 239.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is sourced from PubChem (CID 23554785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).