(2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C20H24N2O4 — CID 97451780

IUPAC(2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1occc1C(=O)N1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1
InChIInChI=1S/C20H24N2O4/c1-15-18(6-10-24-15)19(23)22-9-11-26-20(14-22)7-2-4-16(20)13-25-17-5-3-8-21-12-17/h3,5-6,8,10,12,16H,2,4,7,9,11,13-14H2,1H3/t16-,20+/m0/s1
InChIKeyKDMKWTDYVBWAQO-OXJNMPFZSA-N
MW356.42 g/mol
LogP3.07
Rot. Bonds4

About (2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97451780) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97451780
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1occc1C(=O)N1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1
InChIInChI=1S/C20H24N2O4/c1-15-18(6-10-24-15)19(23)22-9-11-26-20(14-22)7-2-4-16(20)13-25-17-5-3-8-21-12-17/h3,5-6,8,10,12,16H,2,4,7,9,11,13-14H2,1H3/t16-,20+/m0/s1
InChIKeyKDMKWTDYVBWAQO-OXJNMPFZSA-N
XLogP3.07
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1,2-oxazol-4-yl)-[(4R,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97452469
(5-methyl-1,2-oxazol-3-yl)-[(4R,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97452476
pyridin-3-yl-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155861245
furan-3-yl-[(4R,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155834353
furan-3-yl-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155824799
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97452420
[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 133143433
N,N-dimethyl-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 131643241
2-(4-methylphenoxy)-1-[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124816385
(4S,5S)-9-[(1-methylpyrazol-4-yl)methyl]-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97375156
(2-methylfuran-3-yl)-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124810284
(2-methylfuran-3-yl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451294

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97451780) is (2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone is Cc1occc1C(=O)N1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1.
What is the InChIKey of (2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is KDMKWTDYVBWAQO-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15-18(6-10-24-15)19(23)22-9-11-26-20(14-22)7-2-4-16(20)13-25-17-5-3-8-21-12-17/h3,5-6,8,10,12,16H,2,4,7,9,11,13-14H2,1H3/t16-,20+/m0/s1.
What are the key properties of (2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 356.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[(4S,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97451780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).