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

C19H28N2O4 — CID 97472086

IUPAC(5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESCc1ccc(C(=O)N2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)o1
InChIInChI=1S/C19H28N2O4/c1-15-2-3-17(25-15)18(22)21-8-11-24-14-19(13-21)6-7-20(12-19)16-4-9-23-10-5-16/h2-3,16H,4-14H2,1H3/t19-/m1/s1
InChIKeyJFYNYOXYMLFVGP-LJQANCHMSA-N
MW348.44 g/mol
LogP1.93
Rot. Bonds2

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

(5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (PubChem CID 97472086) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
PubChem CID97472086
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
SMILESCc1ccc(C(=O)N2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)o1
InChIInChI=1S/C19H28N2O4/c1-15-2-3-17(25-15)18(22)21-8-11-24-14-19(13-21)6-7-20(12-19)16-4-9-23-10-5-16/h2-3,16H,4-14H2,1H3/t19-/m1/s1
InChIKeyJFYNYOXYMLFVGP-LJQANCHMSA-N
XLogP1.93
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methylfuran-2-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743875
(2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 118743905
(5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 131658138
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
CID 155876019
[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155845274
(5S)-10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472090
N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide
CID 155871713
10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 155875489
3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323265
(5S)-2-(oxan-4-yl)-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472060
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The IUPAC name of (5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone (CID 97472086) is (5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The canonical SMILES for (5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is Cc1ccc(C(=O)N2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
The InChIKey is JFYNYOXYMLFVGP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-15-2-3-17(25-15)18(22)21-8-11-24-14-19(13-21)6-7-20(12-19)16-4-9-23-10-5-16/h2-3,16H,4-14H2,1H3/t19-/m1/s1.
What are the key properties of (5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone?
(5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone has a molecular weight of 348.44 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[(5R)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone is sourced from PubChem (CID 97472086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).