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

C17H25N3O3S — CID 97423337

IUPAC[(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCc1nc(CN2CCC3(CC[C@H](C(=O)N4CCCO4)O3)CC2)cs1
InChIInChI=1S/C17H25N3O3S/c1-13-18-14(12-24-13)11-19-8-5-17(6-9-19)4-3-15(23-17)16(21)20-7-2-10-22-20/h12,15H,2-11H2,1H3/t15-/m1/s1
InChIKeyCLKQRYVBOHIFKB-OAHLLOKOSA-N
MW351.47 g/mol
LogP2.13
Rot. Bonds3

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

[(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97423337) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is [(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97423337
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name[(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCc1nc(CN2CCC3(CC[C@H](C(=O)N4CCCO4)O3)CC2)cs1
InChIInChI=1S/C17H25N3O3S/c1-13-18-14(12-24-13)11-19-8-5-17(6-9-19)4-3-15(23-17)16(21)20-7-2-10-22-20/h12,15H,2-11H2,1H3/t15-/m1/s1
InChIKeyCLKQRYVBOHIFKB-OAHLLOKOSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97423337) is [(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone is Cc1nc(CN2CCC3(CC[C@H](C(=O)N4CCCO4)O3)CC2)cs1.
What is the InChIKey of [(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is CLKQRYVBOHIFKB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-13-18-14(12-24-13)11-19-8-5-17(6-9-19)4-3-15(23-17)16(21)20-7-2-10-22-20/h12,15H,2-11H2,1H3/t15-/m1/s1.
What are the key properties of [(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
[(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 351.47 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97423337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).