9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one

C15H17F2N3O3 — CID 131695132

IUPAC9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cc(C2CC2)on1)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C15H17F2N3O3/c16-15(17)6-14(3-4-18-13(14)22)7-20(8-15)12(21)10-5-11(23-19-10)9-1-2-9/h5,9H,1-4,6-8H2,(H,18,22)
InChIKeyFLRPAPLRZJGNPH-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.54
Rot. Bonds2

About 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one

9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131695132) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131695132
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cc(C2CC2)on1)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C15H17F2N3O3/c16-15(17)6-14(3-4-18-13(14)22)7-20(8-15)12(21)10-5-11(23-19-10)9-1-2-9/h5,9H,1-4,6-8H2,(H,18,22)
InChIKeyFLRPAPLRZJGNPH-UHFFFAOYSA-N
XLogP1.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
9-(2,5-dimethylfuran-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
CID 131695168
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258478
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113250457
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881
2-(cyclopropylmethyl)-8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686898
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid
CID 154735717
8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686885
(5-cyclopropyl-1,2-oxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 22427513
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695

Frequently Asked Questions

What is the IUPAC name of 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (CID 131695132) is 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is O=C(c1cc(C2CC2)on1)N1CC(F)(F)CC2(CCNC2=O)C1.
What is the InChIKey of 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is FLRPAPLRZJGNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c16-15(17)6-14(3-4-18-13(14)22)7-20(8-15)12(21)10-5-11(23-19-10)9-1-2-9/h5,9H,1-4,6-8H2,(H,18,22).
What are the key properties of 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 325.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131695132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).