[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone

C16H24N4O4 — CID 97492362

IUPAC[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1nnc(N2CCC[C@@]3(CN(C(=O)[C@H]4CCCO4)CCO3)C2)o1
InChIInChI=1S/C16H24N4O4/c1-12-17-18-15(24-12)20-6-3-5-16(11-20)10-19(7-9-23-16)14(21)13-4-2-8-22-13/h13H,2-11H2,1H3/t13-,16-/m1/s1
InChIKeyQPDJDZGKNZWMRV-CZUORRHYSA-N
MW336.39 g/mol
LogP0.75
Rot. Bonds2

About [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone

[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 97492362) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID97492362
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1nnc(N2CCC[C@@]3(CN(C(=O)[C@H]4CCCO4)CCO3)C2)o1
InChIInChI=1S/C16H24N4O4/c1-12-17-18-15(24-12)20-6-3-5-16(11-20)10-19(7-9-23-16)14(21)13-4-2-8-22-13/h13H,2-11H2,1H3/t13-,16-/m1/s1
InChIKeyQPDJDZGKNZWMRV-CZUORRHYSA-N
XLogP0.75
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

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Related Compounds

2-hydroxy-1-[(6R)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 97492493
2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 131648895
1-[(6S)-4-[(2R)-oxolane-2-carbonyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 95043174
[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131652950
(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 51078971
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983
cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131650043
8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118746429
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110419164
(6R)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372480
[(2R)-oxolan-2-yl]-[9-(3-pyrazol-1-ylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131923678
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110396133

Frequently Asked Questions

What is the IUPAC name of [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone (CID 97492362) is [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone is Cc1nnc(N2CCC[C@@]3(CN(C(=O)[C@H]4CCCO4)CCO3)C2)o1.
What is the InChIKey of [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is QPDJDZGKNZWMRV-CZUORRHYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-12-17-18-15(24-12)20-6-3-5-16(11-20)10-19(7-9-23-16)14(21)13-4-2-8-22-13/h13H,2-11H2,1H3/t13-,16-/m1/s1.
What are the key properties of [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone?
[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 336.39 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 97492362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).