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

C14H15FN4O2 — CID 129071131

IUPAC(5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCn1cc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cn1
InChIInChI=1S/C14H15FN4O2/c1-18-7-9(6-17-18)12-3-2-10(4-13(12)15)19-8-11(5-16)21-14(19)20/h2-4,6-7,11H,5,8,16H2,1H3/t11-/m0/s1
InChIKeyYJVXRUOCOCGRJQ-NSHDSACASA-N
MW290.30 g/mol
LogP1.51
Rot. Bonds3

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

(5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 129071131) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID129071131
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCn1cc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cn1
InChIInChI=1S/C14H15FN4O2/c1-18-7-9(6-17-18)12-3-2-10(4-13(12)15)19-8-11(5-16)21-14(19)20/h2-4,6-7,11H,5,8,16H2,1H3/t11-/m0/s1
InChIKeyYJVXRUOCOCGRJQ-NSHDSACASA-N
XLogP1.51
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one (CID 129071131) is (5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one is Cn1cc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cn1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is YJVXRUOCOCGRJQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-18-7-9(6-17-18)12-3-2-10(4-13(12)15)19-8-11(5-16)21-14(19)20/h2-4,6-7,11H,5,8,16H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 290.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129071131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).