[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone

C19H23N3O3S — CID 124793389

IUPAC[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1
InChIInChI=1S/C19H23N3O3S/c23-18(16-13-26-14-21-16)22-9-6-19(7-10-22)15(5-12-25-19)4-11-24-17-3-1-2-8-20-17/h1-3,8,13-15H,4-7,9-12H2/t15-/m0/s1
InChIKeyNDCHSZFFQQLDOS-HNNXBMFYSA-N
MW373.48 g/mol
LogP3.02
Rot. Bonds5

About [(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone

[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 124793389) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is [(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID124793389
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1
InChIInChI=1S/C19H23N3O3S/c23-18(16-13-26-14-21-16)22-9-6-19(7-10-22)15(5-12-25-19)4-11-24-17-3-1-2-8-20-17/h1-3,8,13-15H,4-7,9-12H2/t15-/m0/s1
InChIKeyNDCHSZFFQQLDOS-HNNXBMFYSA-N
XLogP3.02
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131677641
[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
CID 124796583
(2-methylfuran-3-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131651853
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124810784
(4R)-8-methylsulfonyl-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124783917
(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124793474
(2-fluorophenyl)-[(8S)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124794597
[4a-(pyridin-2-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 131657911
(1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131640842
(4S)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124810668
3-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one
CID 124796368
(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124817136

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone (CID 124793389) is [(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1.
What is the InChIKey of [(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is NDCHSZFFQQLDOS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-18(16-13-26-14-21-16)22-9-6-19(7-10-22)15(5-12-25-19)4-11-24-17-3-1-2-8-20-17/h1-3,8,13-15H,4-7,9-12H2/t15-/m0/s1.
What are the key properties of [(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 373.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124793389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).