[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone

C18H22N4O3 — CID 97450771

IUPAC[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC2(CC1)CN(Cc1ccoc1)CCO2
InChIInChI=1S/C18H22N4O3/c23-17(16-1-5-19-20-11-16)22-6-3-18(4-7-22)14-21(8-10-25-18)12-15-2-9-24-13-15/h1-2,5,9,11,13H,3-4,6-8,10,12,14H2
InChIKeyAJTVDVVIRUPWFE-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.58
Rot. Bonds3

About [4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone

[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone (PubChem CID 97450771) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
PubChem CID97450771
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCC2(CC1)CN(Cc1ccoc1)CCO2
InChIInChI=1S/C18H22N4O3/c23-17(16-1-5-19-20-11-16)22-6-3-18(4-7-22)14-21(8-10-25-18)12-15-2-9-24-13-15/h1-2,5,9,11,13H,3-4,6-8,10,12,14H2
InChIKeyAJTVDVVIRUPWFE-UHFFFAOYSA-N
XLogP1.58
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]-1H-pyrrole-3-carbonitrile
CID 131907059
[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97370057
1-[4-(furan-3-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]-3-methylsulfonylpropan-1-one
CID 155876612
furan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155824954
1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043139
9-(furan-3-ylmethyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849181
[4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone
CID 97372226
[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(furan-3-yl)methanone
CID 97451019
(6-methyl-2-pyridinyl)-[4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97372223
[9-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 131940284
(6S)-4-(furan-3-ylmethyl)-8-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373115
1-[4-(pyridazine-4-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 131663115

Frequently Asked Questions

What is the IUPAC name of [4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone (CID 97450771) is [4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCC2(CC1)CN(Cc1ccoc1)CCO2.
What is the InChIKey of [4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone?
The InChIKey is AJTVDVVIRUPWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(16-1-5-19-20-11-16)22-6-3-18(4-7-22)14-21(8-10-25-18)12-15-2-9-24-13-15/h1-2,5,9,11,13H,3-4,6-8,10,12,14H2.
What are the key properties of [4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone?
[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone has a molecular weight of 342.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97450771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).