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

C17H25N3O3S — CID 97375379

IUPACmorpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
SMILESO=C([C@H]1CN(Cc2nccs2)CC12CCOCC2)N1CCOCC1
InChIInChI=1S/C17H25N3O3S/c21-16(20-4-8-23-9-5-20)14-11-19(12-15-18-3-10-24-15)13-17(14)1-6-22-7-2-17/h3,10,14H,1-2,4-9,11-13H2/t14-/m1/s1
InChIKeyHVTUVQZUZOZNHB-CQSZACIVSA-N
MW351.47 g/mol
LogP1.23
Rot. Bonds3

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

morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone (PubChem CID 97375379) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
PubChem CID97375379
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Namemorpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
SMILESO=C([C@H]1CN(Cc2nccs2)CC12CCOCC2)N1CCOCC1
InChIInChI=1S/C17H25N3O3S/c21-16(20-4-8-23-9-5-20)14-11-19(12-15-18-3-10-24-15)13-17(14)1-6-22-7-2-17/h3,10,14H,1-2,4-9,11-13H2/t14-/m1/s1
InChIKeyHVTUVQZUZOZNHB-CQSZACIVSA-N
XLogP1.23
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(pyrimidin-2-ylmethyl)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155875192
[(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97375381
morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155829085
[(4R)-2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97375369
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155841370
[2-[(4-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651785
[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895050
[2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651911
[2-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 175652668
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131684482
[(4S)-2-[(4-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 97451928
[(3R)-oxolan-3-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449429

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone (CID 97375379) is morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone is O=C([C@H]1CN(Cc2nccs2)CC12CCOCC2)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone?
The InChIKey is HVTUVQZUZOZNHB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-16(20-4-8-23-9-5-20)14-11-19(12-15-18-3-10-24-15)13-17(14)1-6-22-7-2-17/h3,10,14H,1-2,4-9,11-13H2/t14-/m1/s1.
What are the key properties of morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone?
morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone has a molecular weight of 351.47 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone is sourced from PubChem (CID 97375379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).