(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

C14H19N3O3 — CID 97484678

IUPAC(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCc1oncc1C(=O)N1CCC[C@]2(CCC(=O)N2)CC1
InChIInChI=1S/C14H19N3O3/c1-10-11(9-15-20-10)13(19)17-7-2-4-14(6-8-17)5-3-12(18)16-14/h9H,2-8H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyPYYCRDVRFXLUBN-AWEZNQCLSA-N
MW277.32 g/mol
LogP1.26
Rot. Bonds1

About (5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97484678) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97484678
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCc1oncc1C(=O)N1CCC[C@]2(CCC(=O)N2)CC1
InChIInChI=1S/C14H19N3O3/c1-10-11(9-15-20-10)13(19)17-7-2-4-14(6-8-17)5-3-12(18)16-14/h9H,2-8H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyPYYCRDVRFXLUBN-AWEZNQCLSA-N
XLogP1.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645770
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 77094670
1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 134073200
(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484681
(4-hydroxyiminopiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 24702028
(5-methyl-1,2-oxazol-4-yl)-[(5R)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393555
9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 97450527
9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450518
1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131683867
8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493677

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 97484678) is (5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is Cc1oncc1C(=O)N1CCC[C@]2(CCC(=O)N2)CC1.
What is the InChIKey of (5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is PYYCRDVRFXLUBN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-11(9-15-20-10)13(19)17-7-2-4-14(6-8-17)5-3-12(18)16-14/h9H,2-8H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 277.32 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97484678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).