(5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C15H23N3O3 — CID 95710061

IUPAC(5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCC(C)c1noc(CN2CC[C@]3(CCCO3)CCC2=O)n1
InChIInChI=1S/C15H23N3O3/c1-11(2)14-16-12(21-17-14)10-18-8-7-15(5-3-9-20-15)6-4-13(18)19/h11H,3-10H2,1-2H3/t15-/m0/s1
InChIKeyWNPPLURTNJCTCN-HNNXBMFYSA-N
MW293.37 g/mol
LogP2.25
Rot. Bonds3

About (5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

(5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 95710061) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name(5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID95710061
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCC(C)c1noc(CN2CC[C@]3(CCCO3)CCC2=O)n1
InChIInChI=1S/C15H23N3O3/c1-11(2)14-16-12(21-17-14)10-18-8-7-15(5-3-9-20-15)6-4-13(18)19/h11H,3-10H2,1-2H3/t15-/m0/s1
InChIKeyWNPPLURTNJCTCN-HNNXBMFYSA-N
XLogP2.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56867345
2-ethyl-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747573
9-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56880432
9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56863029
9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56870328
9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56872805
(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95730261
(5S)-9-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95713030
(5S)-9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95711137
(5R)-9-[(4-tert-butylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95524921
(6R)-10-(2-methoxyethyl)-1-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98841921
(5R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95724662

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of (5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 95710061) is (5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for (5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for (5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is CC(C)c1noc(CN2CC[C@]3(CCCO3)CCC2=O)n1.
What is the InChIKey of (5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is WNPPLURTNJCTCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)14-16-12(21-17-14)10-18-8-7-15(5-3-9-20-15)6-4-13(18)19/h11H,3-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
(5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 293.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 95710061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).