2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one

C15H21N3O3 — CID 118739181

IUPAC2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC12CCN(C(=O)c1ccno1)C2
InChIInChI=1S/C15H21N3O3/c1-11(2)13(19)18-8-3-5-15(18)6-9-17(10-15)14(20)12-4-7-16-21-12/h4,7,11H,3,5-6,8-10H2,1-2H3
InChIKeyFTDYTEDLFJVEAV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.54
Rot. Bonds2

About 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one

2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one (PubChem CID 118739181) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one
PubChem CID118739181
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC12CCN(C(=O)c1ccno1)C2
InChIInChI=1S/C15H21N3O3/c1-11(2)13(19)18-8-3-5-15(18)6-9-17(10-15)14(20)12-4-7-16-21-12/h4,7,11H,3,5-6,8-10H2,1-2H3
InChIKeyFTDYTEDLFJVEAV-UHFFFAOYSA-N
XLogP1.54
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one (CID 118739181) is 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one is CC(C)C(=O)N1CCCC12CCN(C(=O)c1ccno1)C2.
What is the InChIKey of 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one?
The InChIKey is FTDYTEDLFJVEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(2)13(19)18-8-3-5-15(18)6-9-17(10-15)14(20)12-4-7-16-21-12/h4,7,11H,3,5-6,8-10H2,1-2H3.
What are the key properties of 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one?
2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one has a molecular weight of 291.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one is sourced from PubChem (CID 118739181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).