2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

C13H20N4O4 — CID 131648895

IUPAC2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCc1nnc(N2CCCC3(CN(C(=O)CO)CCO3)C2)o1
InChIInChI=1S/C13H20N4O4/c1-10-14-15-12(21-10)17-4-2-3-13(9-17)8-16(5-6-20-13)11(19)7-18/h18H,2-9H2,1H3
InChIKeySWAOFJAVYHIOKK-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.43
Rot. Bonds2

About 2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (PubChem CID 131648895) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
PubChem CID131648895
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESCc1nnc(N2CCCC3(CN(C(=O)CO)CCO3)C2)o1
InChIInChI=1S/C13H20N4O4/c1-10-14-15-12(21-10)17-4-2-3-13(9-17)8-16(5-6-20-13)11(19)7-18/h18H,2-9H2,1H3
InChIKeySWAOFJAVYHIOKK-UHFFFAOYSA-N
XLogP-0.43
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
[(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
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
(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
1-[8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131682087
cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131650043
(6R)-N-propan-2-yl-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492184
[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131652950
[(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 97492248
4-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxylic acid
CID 154845323
1-[(6S)-4-[(2R)-oxolane-2-carbonyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 95043174
(6S)-N,N-dimethyl-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97372463

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The IUPAC name of 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) is 2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is Cc1nnc(N2CCCC3(CN(C(=O)CO)CCO3)C2)o1.
What is the InChIKey of 2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The InChIKey is SWAOFJAVYHIOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-10-14-15-12(21-10)17-4-2-3-13(9-17)8-16(5-6-20-13)11(19)7-18/h18H,2-9H2,1H3.
What are the key properties of 2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone has a molecular weight of 296.33 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is sourced from PubChem (CID 131648895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).