1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one

C19H22N4O2 — CID 146106500

IUPAC1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one
SMILESO=C1CC2(CN(Cc3cnc4n3CCOC4)C2)N1Cc1ccccc1
InChIInChI=1S/C19H22N4O2/c24-18-8-19(23(18)10-15-4-2-1-3-5-15)13-21(14-19)11-16-9-20-17-12-25-7-6-22(16)17/h1-5,9H,6-8,10-14H2
InChIKeyODOJRYYMAPOYFA-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.40
Rot. Bonds4

About 1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one

1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one (PubChem CID 146106500) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one.

Molecular Properties

Compound Name1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one
PubChem CID146106500
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one
SMILESO=C1CC2(CN(Cc3cnc4n3CCOC4)C2)N1Cc1ccccc1
InChIInChI=1S/C19H22N4O2/c24-18-8-19(23(18)10-15-4-2-1-3-5-15)13-21(14-19)11-16-9-20-17-12-25-7-6-22(16)17/h1-5,9H,6-8,10-14H2
InChIKeyODOJRYYMAPOYFA-UHFFFAOYSA-N
XLogP1.40
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-ol
CID 146140644
3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126893920
3-[[4-(1H-imidazol-5-yl)piperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 136568432
1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide
CID 136557306
3-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 138053387
3-[(4-methylpiperazin-1-yl)methyl]-7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747058
4-benzyl-1,4-oxazepan-3-one
CID 46318286
10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione
CID 10088312
(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
CID 86338341
6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146070649
(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-morpholin-4-ylmethanone
CID 124788247
4-(1-benzylpiperidin-4-yl)morpholin-3-one;ethane
CID 145162351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one?
The IUPAC name of 1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one (CID 146106500) is 1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one.
What is the SMILES notation for 1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one?
The canonical SMILES for 1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one is O=C1CC2(CN(Cc3cnc4n3CCOC4)C2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one?
The InChIKey is ODOJRYYMAPOYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-8-19(23(18)10-15-4-2-1-3-5-15)13-21(14-19)11-16-9-20-17-12-25-7-6-22(16)17/h1-5,9H,6-8,10-14H2.
What are the key properties of 1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one?
1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-one is sourced from PubChem (CID 146106500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).