(5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C15H24N4O3 — CID 97199806

IUPAC(5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCN1C[C@@]2(CCCN(c3nnc(C(C)(C)C)o3)CC2)OC1=O
InChIInChI=1S/C15H24N4O3/c1-14(2,3)11-16-17-12(21-11)19-8-5-6-15(7-9-19)10-18(4)13(20)22-15/h5-10H2,1-4H3/t15-/m0/s1
InChIKeyUJQGGYFRGOEYAS-HNNXBMFYSA-N
MW308.38 g/mol
LogP2.18
Rot. Bonds1

About (5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97199806) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID97199806
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCN1C[C@@]2(CCCN(c3nnc(C(C)(C)C)o3)CC2)OC1=O
InChIInChI=1S/C15H24N4O3/c1-14(2,3)11-16-17-12(21-11)19-8-5-6-15(7-9-19)10-18(4)13(20)22-15/h5-10H2,1-4H3/t15-/m0/s1
InChIKeyUJQGGYFRGOEYAS-HNNXBMFYSA-N
XLogP2.18
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-9-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 74239736
(5S)-3-methyl-9-(2-methylsulfanylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95715601
(5S)-3-methyl-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717468
(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717355
(5R)-3-methyl-9-(2,4,5-trifluorophenyl)sulfonyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95709705
tert-butyl 3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 176720221
3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56907295
(5R)-3-methyl-9-(4-pyrrolidin-1-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99976442
(5S)-3-methyl-9-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95725620
(5R)-9-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95868973
5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide
CID 56914079
(5S)-9-(4-amino-5-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95876803

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 97199806) is (5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is CN1C[C@@]2(CCCN(c3nnc(C(C)(C)C)o3)CC2)OC1=O.
What is the InChIKey of (5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is UJQGGYFRGOEYAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-14(2,3)11-16-17-12(21-11)19-8-5-6-15(7-9-19)10-18(4)13(20)22-15/h5-10H2,1-4H3/t15-/m0/s1.
What are the key properties of (5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97199806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).