[(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine

C17H23F2N3O2 — CID 146310143

IUPAC[(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine
SMILESNC[C@H]1CN(c2cc(F)c(N3CCC4(CC3)COC4)c(F)c2)CO1
InChIInChI=1S/C17H23F2N3O2/c18-14-5-12(22-8-13(7-20)24-11-22)6-15(19)16(14)21-3-1-17(2-4-21)9-23-10-17/h5-6,13H,1-4,7-11,20H2/t13-/m0/s1
InChIKeyKOGMFLUSKPZRBB-ZDUSSCGKSA-N
MW339.39 g/mol
LogP1.70
Rot. Bonds3

About [(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine

[(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine (PubChem CID 146310143) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine.

Molecular Properties

Compound Name[(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine
PubChem CID146310143
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name[(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine
SMILESNC[C@H]1CN(c2cc(F)c(N3CCC4(CC3)COC4)c(F)c2)CO1
InChIInChI=1S/C17H23F2N3O2/c18-14-5-12(22-8-13(7-20)24-11-22)6-15(19)16(14)21-3-1-17(2-4-21)9-23-10-17/h5-6,13H,1-4,7-11,20H2/t13-/m0/s1
InChIKeyKOGMFLUSKPZRBB-ZDUSSCGKSA-N
XLogP1.70
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[4-[4-(cyanomethyl)-4-methylpiperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44426855
1-(3-Fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane
CID 86820573
(5S)-5-(aminomethyl)-3-(3,5-difluoro-4-morpholino-phenyl)oxazolidin-2-one
CID 126496052
(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 10780054
(S)-N-{3-[4-(4-Fluoro-4-fluoromethylpiperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 11153350
(S)-N-{3-[4-(4-Fluoro-4-methylpiperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 11314611
(S)-N-{3-[4-(4-Fluoro-4-ethoxymethylpiperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 11315865
(S)-N-{3-[4-(4-Fluoro-4-aminomethylpiperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 11394934
(S)-N-{3-[4-(4-Fluoro-4-methoxymethylpiperidin-1-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 11463639
N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22913034
5-(Aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22943656
5-(Aminomethyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22943662

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine?
The IUPAC name of [(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine (CID 146310143) is [(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine.
What is the SMILES notation for [(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine?
The canonical SMILES for [(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine is NC[C@H]1CN(c2cc(F)c(N3CCC4(CC3)COC4)c(F)c2)CO1.
What is the InChIKey of [(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine?
The InChIKey is KOGMFLUSKPZRBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c18-14-5-12(22-8-13(7-20)24-11-22)6-15(19)16(14)21-3-1-17(2-4-21)9-23-10-17/h5-6,13H,1-4,7-11,20H2/t13-/m0/s1.
What are the key properties of [(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine?
[(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine has a molecular weight of 339.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-[3,5-difluoro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1,3-oxazolidin-5-yl]methanamine is sourced from PubChem (CID 146310143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).