(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one

C15H14FN3O2 — CID 129071185

IUPAC(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(-c3cccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H14FN3O2/c16-14-6-11(19-9-12(7-17)21-15(19)20)3-4-13(14)10-2-1-5-18-8-10/h1-6,8,12H,7,9,17H2/t12-/m0/s1
InChIKeyPECMGQGFWVHISX-LBPRGKRZSA-N
MW287.29 g/mol
LogP2.17
Rot. Bonds3

About (5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 129071185) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID129071185
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(-c3cccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H14FN3O2/c16-14-6-11(19-9-12(7-17)21-15(19)20)3-4-13(14)10-2-1-5-18-8-10/h1-6,8,12H,7,9,17H2/t12-/m0/s1
InChIKeyPECMGQGFWVHISX-LBPRGKRZSA-N
XLogP2.17
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(aminomethyl)-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 129070942
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071122
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzenesulfonamide
CID 129070939
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 142987296
5-(aminomethyl)-3-[4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 22087045
5-(aminomethyl)-3-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071232
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 67608405
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one (CID 129071185) is (5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one is NC[C@H]1CN(c2ccc(-c3cccnc3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is PECMGQGFWVHISX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-14-6-11(19-9-12(7-17)21-15(19)20)3-4-13(14)10-2-1-5-18-8-10/h1-6,8,12H,7,9,17H2/t12-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 129071185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).