(5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one

C15H16F2N2O3 — CID 166925619

IUPAC(5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(c2cc(F)c(N3CC4(COC4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H16F2N2O3/c1-9-4-19(14(20)22-9)10-2-11(16)13(12(17)3-10)18-5-15(6-18)7-21-8-15/h2-3,9H,4-8H2,1H3/t9-/m0/s1
InChIKeyRHMXSFPZOMWPJS-VIFPVBQESA-N
MW310.30 g/mol
LogP2.15
Rot. Bonds2

About (5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one

(5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 166925619) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is (5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID166925619
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name(5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1CN(c2cc(F)c(N3CC4(COC4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H16F2N2O3/c1-9-4-19(14(20)22-9)10-2-11(16)13(12(17)3-10)18-5-15(6-18)7-21-8-15/h2-3,9H,4-8H2,1H3/t9-/m0/s1
InChIKeyRHMXSFPZOMWPJS-VIFPVBQESA-N
XLogP2.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one (CID 166925619) is (5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one is C[C@H]1CN(c2cc(F)c(N3CC4(COC4)C3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is RHMXSFPZOMWPJS-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16F2N2O3/c1-9-4-19(14(20)22-9)10-2-11(16)13(12(17)3-10)18-5-15(6-18)7-21-8-15/h2-3,9H,4-8H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one?
(5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 310.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 166925619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).