2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C17H27N3O3 — CID 175641199

IUPAC2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(Cc3cc(C(C)C)no3)C2)C1=O
InChIInChI=1S/C17H27N3O3/c1-13(2)15-10-14(23-18-15)11-19-6-4-17(12-19)5-7-20(16(17)21)8-9-22-3/h10,13H,4-9,11-12H2,1-3H3
InChIKeyXAQXFYFRZBLZHZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.87
Rot. Bonds6

About 2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175641199) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175641199
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(Cc3cc(C(C)C)no3)C2)C1=O
InChIInChI=1S/C17H27N3O3/c1-13(2)15-10-14(23-18-15)11-19-6-4-17(12-19)5-7-20(16(17)21)8-9-22-3/h10,13H,4-9,11-12H2,1-3H3
InChIKeyXAQXFYFRZBLZHZ-UHFFFAOYSA-N
XLogP1.87
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 136818945
7-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175644770
(5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97133083
2-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97370190
7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501882
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498
2-(2-methoxyethyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502457
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97142214
(5R)-2-[(2,5-difluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42377378
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
2-[(2-chlorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45200677

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 175641199) is 2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CCC2(CCN(Cc3cc(C(C)C)no3)C2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is XAQXFYFRZBLZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13(2)15-10-14(23-18-15)11-19-6-4-17(12-19)5-7-20(16(17)21)8-9-22-3/h10,13H,4-9,11-12H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 321.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175641199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).