2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one

C15H23N3O2 — CID 146652613

IUPAC2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)N1CCC2(CCN(Cc3ccon3)C2=O)CC1
InChIInChI=1S/C15H23N3O2/c1-12(2)17-7-4-15(5-8-17)6-9-18(14(15)19)11-13-3-10-20-16-13/h3,10,12H,4-9,11H2,1-2H3
InChIKeyWLTYAZXENNGDJP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.90
Rot. Bonds3

About 2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one

2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 146652613) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID146652613
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)N1CCC2(CCN(Cc3ccon3)C2=O)CC1
InChIInChI=1S/C15H23N3O2/c1-12(2)17-7-4-15(5-8-17)6-9-18(14(15)19)11-13-3-10-20-16-13/h3,10,12H,4-9,11H2,1-2H3
InChIKeyWLTYAZXENNGDJP-UHFFFAOYSA-N
XLogP1.90
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 146652613) is 2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one is CC(C)N1CCC2(CCN(Cc3ccon3)C2=O)CC1.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WLTYAZXENNGDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(2)17-7-4-15(5-8-17)6-9-18(14(15)19)11-13-3-10-20-16-13/h3,10,12H,4-9,11H2,1-2H3.
What are the key properties of 2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylmethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 146652613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).