1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone

C16H23N3O3S — CID 97482603

About 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone

1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 97482603) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

• Compound Name: 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
• PubChem CID: 97482603
• Molecular Formula: C16H23N3O3S
• Molecular Weight: 337.45 g/mol
• Exact Mass: 337.15
• IUPAC Name: 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
• SMILES: O=C([C@@H]1CCC2(CCN(Cc3nccs3)CC2)O1)N1CCCO1
• InChI: InChI=1S/C16H23N3O3S/c20-15(19-7-1-10-21-19)13-2-3-16(22-13)4-8-18(9-5-16)12-14-17-6-11-23-14/h6,11,13H,1-5,7-10,12H2/t13-/m0/s1
• InChIKey: VCZQAWAHJPDLKI-ZDUSSCGKSA-N
• XLogP: 1.82
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.45
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone?

The IUPAC name of 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone (CID 97482603) is 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone.

What is the SMILES notation for 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone?

The canonical SMILES for 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone is O=C([C@@H]1CCC2(CCN(Cc3nccs3)CC2)O1)N1CCCO1.

What is the InChIKey of 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone?

The InChIKey is VCZQAWAHJPDLKI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-15(19-7-1-10-21-19)13-2-3-16(22-13)4-8-18(9-5-16)12-14-17-6-11-23-14/h6,11,13H,1-5,7-10,12H2/t13-/m0/s1.

What are the key properties of 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone?

1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 337.45 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-oxazolidin-2-yl-[(2S)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97482603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).