furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C17H22N4O4 — CID 134070456

IUPACfuran-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESCc1nnc(N2CCOCC3(CCCN(C(=O)c4ccco4)C3)C2)o1
InChIInChI=1S/C17H22N4O4/c1-13-18-19-16(25-13)21-7-9-23-12-17(11-21)5-3-6-20(10-17)15(22)14-4-2-8-24-14/h2,4,8H,3,5-7,9-12H2,1H3
InChIKeyBCHIRRMPLLWVGM-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.73
Rot. Bonds2

About furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 134070456) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
PubChem CID134070456
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Namefuran-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESCc1nnc(N2CCOCC3(CCCN(C(=O)c4ccco4)C3)C2)o1
InChIInChI=1S/C17H22N4O4/c1-13-18-19-16(25-13)21-7-9-23-12-17(11-21)5-3-6-20(10-17)15(22)14-4-2-8-24-14/h2,4,8H,3,5-7,9-12H2,1H3
InChIKeyBCHIRRMPLLWVGM-UHFFFAOYSA-N
XLogP1.73
TPSA84.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone with MolForge

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Related Compounds

furan-3-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155855736
furan-2-yl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603036
[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone
CID 97397948
furan-2-yl-[(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97483709
furan-2-yl-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131649165
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[(2R)-oxolan-2-yl]-[(6S)-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494631
furan-2-yl-[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methanone
CID 97370476
(5-methyl-1H-pyrazol-3-yl)-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494780
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398115

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The IUPAC name of furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 134070456) is furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The canonical SMILES for furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is Cc1nnc(N2CCOCC3(CCCN(C(=O)c4ccco4)C3)C2)o1.
What is the InChIKey of furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The InChIKey is BCHIRRMPLLWVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-13-18-19-16(25-13)21-7-9-23-12-17(11-21)5-3-6-20(10-17)15(22)14-4-2-8-24-14/h2,4,8H,3,5-7,9-12H2,1H3.
What are the key properties of furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 134070456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).