3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C20H25F2N3O3 — CID 42299965

About 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 42299965) has the molecular formula C20H25F2N3O3 and a molecular weight of 393.43 g/mol. Its IUPAC name is 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
• PubChem CID: 42299965
• Molecular Formula: C20H25F2N3O3
• Molecular Weight: 393.43 g/mol
• Exact Mass: 393.19
• IUPAC Name: 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
• SMILES: O=C(CN1CCOC1=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1
• InChI: InChI=1S/C20H25F2N3O3/c21-16-3-2-15(10-17(16)22)11-23-6-1-4-20(13-23)5-7-25(14-20)18(26)12-24-8-9-28-19(24)27/h2-3,10H,1,4-9,11-14H2/t20-/m1/s1
• InChIKey: SWHBNVUPJHSJHP-HXUWFJFHSA-N
• XLogP: 2.23
• TPSA: 53.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.43
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 42299965) is 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1.

What is the InChIKey of 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The InChIKey is SWHBNVUPJHSJHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25F2N3O3/c21-16-3-2-15(10-17(16)22)11-23-6-1-4-20(13-23)5-7-25(14-20)18(26)12-24-8-9-28-19(24)27/h2-3,10H,1,4-9,11-14H2/t20-/m1/s1.

What are the key properties of 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 393.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(5R)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42299965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).