N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

C16H20FN3O5S — CID 126495106

IUPACN-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(c2ccc(N3CC4(COC4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H20FN3O5S/c1-26(22,23)18-5-12-6-20(15(21)25-12)11-2-3-14(13(17)4-11)19-7-16(8-19)9-24-10-16/h2-4,12,18H,5-10H2,1H3/t12-/m0/s1
InChIKeyJAGMGZXDXPZHBL-LBPRGKRZSA-N
MW385.42 g/mol
LogP0.54
Rot. Bonds5

About N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide

N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (PubChem CID 126495106) has the molecular formula C16H20FN3O5S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
PubChem CID126495106
Molecular FormulaC16H20FN3O5S
Molecular Weight385.42 g/mol
Exact Mass385.11
IUPAC NameN-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CN(c2ccc(N3CC4(COC4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H20FN3O5S/c1-26(22,23)18-5-12-6-20(15(21)25-12)11-2-3-14(13(17)4-11)19-7-16(8-19)9-24-10-16/h2-4,12,18H,5-10H2,1H3/t12-/m0/s1
InChIKeyJAGMGZXDXPZHBL-LBPRGKRZSA-N
XLogP0.54
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide (CID 126495106) is N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CN(c2ccc(N3CC4(COC4)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
The InChIKey is JAGMGZXDXPZHBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20FN3O5S/c1-26(22,23)18-5-12-6-20(15(21)25-12)11-2-3-14(13(17)4-11)19-7-16(8-19)9-24-10-16/h2-4,12,18H,5-10H2,1H3/t12-/m0/s1.
What are the key properties of N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide?
N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide has a molecular weight of 385.42 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 126495106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).