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

C15H23N3O3 — CID 23554571

IUPAC8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(CC2CCCCCO2)CCc2ncoc21
InChIInChI=1S/C15H23N3O3/c1-16-13-14-12(17-10-21-14)6-7-18(15(13)19)9-11-5-3-2-4-8-20-11/h10-11,13,16H,2-9H2,1H3
InChIKeyWYDOCGMGVKLPIZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.28
Rot. Bonds3

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

8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (PubChem CID 23554571) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.

Molecular Properties

Compound Name8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
PubChem CID23554571
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(CC2CCCCCO2)CCc2ncoc21
InChIInChI=1S/C15H23N3O3/c1-16-13-14-12(17-10-21-14)6-7-18(15(13)19)9-11-5-3-2-4-8-20-11/h10-11,13,16H,2-9H2,1H3
InChIKeyWYDOCGMGVKLPIZ-UHFFFAOYSA-N
XLogP1.28
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The IUPAC name of 8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (CID 23554571) is 8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.
What is the SMILES notation for 8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The canonical SMILES for 8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is CNC1C(=O)N(CC2CCCCCO2)CCc2ncoc21.
What is the InChIKey of 8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The InChIKey is WYDOCGMGVKLPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-16-13-14-12(17-10-21-14)6-7-18(15(13)19)9-11-5-3-2-4-8-20-11/h10-11,13,16H,2-9H2,1H3.
What are the key properties of 8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one has a molecular weight of 293.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is sourced from PubChem (CID 23554571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).