(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one

C15H15FN4O2S — CID 129071122

IUPAC(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCSc1ncc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cn1
InChIInChI=1S/C15H15FN4O2S/c1-23-14-18-6-9(7-19-14)12-3-2-10(4-13(12)16)20-8-11(5-17)22-15(20)21/h2-4,6-7,11H,5,8,17H2,1H3/t11-/m0/s1
InChIKeyMPJZMJDVWJKGDH-NSHDSACASA-N
MW334.38 g/mol
LogP2.29
Rot. Bonds4

About (5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 129071122) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID129071122
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCSc1ncc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cn1
InChIInChI=1S/C15H15FN4O2S/c1-23-14-18-6-9(7-19-14)12-3-2-10(4-13(12)16)20-8-11(5-17)22-15(20)21/h2-4,6-7,11H,5,8,17H2,1H3/t11-/m0/s1
InChIKeyMPJZMJDVWJKGDH-NSHDSACASA-N
XLogP2.29
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one (CID 129071122) is (5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one is CSc1ncc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cn1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is MPJZMJDVWJKGDH-NSHDSACASA-N. The full InChI is InChI=1S/C15H15FN4O2S/c1-23-14-18-6-9(7-19-14)12-3-2-10(4-13(12)16)20-8-11(5-17)22-15(20)21/h2-4,6-7,11H,5,8,17H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 334.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129071122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).