(5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one

C17H19F2N5O2S — CID 166925741

About (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 166925741) has the molecular formula C17H19F2N5O2S and a molecular weight of 395.44 g/mol. Its IUPAC name is (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 166925741
• Molecular Formula: C17H19F2N5O2S
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.12
• IUPAC Name: (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](CN2N=CCN2)CN1c1cc(F)c(N2CC3(CSC3)C2)c(F)c1
• InChI: InChI=1S/C17H19F2N5O2S/c18-13-3-11(4-14(19)15(13)22-7-17(8-22)9-27-10-17)23-5-12(26-16(23)25)6-24-20-1-2-21-24/h1,3-4,12,21H,2,5-10H2/t12-/m1/s1
• InChIKey: RDDYQJZYFVTKGK-GFCCVEGCSA-N
• XLogP: 1.65
• TPSA: 60.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one (CID 166925741) is (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CN2N=CCN2)CN1c1cc(F)c(N2CC3(CSC3)C2)c(F)c1.

What is the InChIKey of (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is RDDYQJZYFVTKGK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19F2N5O2S/c18-13-3-11(4-14(19)15(13)22-7-17(8-22)9-27-10-17)23-5-12(26-16(23)25)6-24-20-1-2-21-24/h1,3-4,12,21H,2,5-10H2/t12-/m1/s1.

What are the key properties of (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one?

(5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 395.44 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(1,5-dihydrotriazol-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 166925741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).