8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

C19H27N3O3 — CID 72907422

IUPAC8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(C(=O)c3oc(C)nc3C)CC2)CC1=O
InChIInChI=1S/C19H27N3O3/c1-13(2)5-8-22-12-19(11-16(22)23)6-9-21(10-7-19)18(24)17-14(3)20-15(4)25-17/h5H,6-12H2,1-4H3
InChIKeyZUWXPXSMCIOBGD-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.71
Rot. Bonds3

About 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72907422) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72907422
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(C(=O)c3oc(C)nc3C)CC2)CC1=O
InChIInChI=1S/C19H27N3O3/c1-13(2)5-8-22-12-19(11-16(22)23)6-9-21(10-7-19)18(24)17-14(3)20-15(4)25-17/h5H,6-12H2,1-4H3
InChIKeyZUWXPXSMCIOBGD-UHFFFAOYSA-N
XLogP2.71
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72907422) is 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)=CCN1CC2(CCN(C(=O)c3oc(C)nc3C)CC2)CC1=O.
What is the InChIKey of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZUWXPXSMCIOBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(2)5-8-22-12-19(11-16(22)23)6-9-21(10-7-19)18(24)17-14(3)20-15(4)25-17/h5H,6-12H2,1-4H3.
What are the key properties of 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 345.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72907422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).