[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone

C19H28N2O4 — CID 97472191

IUPAC[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1
InChIInChI=1S/C19H28N2O4/c22-18(16-3-9-23-10-4-16)21-7-11-24-15-19(14-21)5-6-20(13-19)12-17-2-1-8-25-17/h1-2,8,16H,3-7,9-15H2/t19-/m1/s1
InChIKeyMELZWGVYBUUKNR-LJQANCHMSA-N
MW348.44 g/mol
LogP1.76
Rot. Bonds3

About [(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone

[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone (PubChem CID 97472191) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is [(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone
PubChem CID97472191
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1
InChIInChI=1S/C19H28N2O4/c22-18(16-3-9-23-10-4-16)21-7-11-24-15-19(14-21)5-6-20(13-19)12-17-2-1-8-25-17/h1-2,8,16H,3-7,9-15H2/t19-/m1/s1
InChIKeyMELZWGVYBUUKNR-LJQANCHMSA-N
XLogP1.76
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 131658564
(5R)-10-cyclopropylsulfonyl-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472187
2-(furan-2-ylmethyl)-10-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171696094
(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472155
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
[(4R)-2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97375369
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 133120871
oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 133144937
(5S)-7-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95707749
[2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651911
(6R)-2-(furan-2-ylmethyl)-11-(2H-triazol-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97372776
N-(furan-2-ylmethyl)-7-(oxane-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131647013

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone (CID 97472191) is [(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1.
What is the InChIKey of [(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone?
The InChIKey is MELZWGVYBUUKNR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-18(16-3-9-23-10-4-16)21-7-11-24-15-19(14-21)5-6-20(13-19)12-17-2-1-8-25-17/h1-2,8,16H,3-7,9-15H2/t19-/m1/s1.
What are the key properties of [(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone?
[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone has a molecular weight of 348.44 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 97472191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).