(5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one

C15H19FN4O2 — CID 69413058

IUPAC(5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)n1ncc2cc(N3C[C@H](CN)OC3=O)cc(F)c21
InChIInChI=1S/C15H19FN4O2/c1-3-9(2)20-14-10(7-18-20)4-11(5-13(14)16)19-8-12(6-17)22-15(19)21/h4-5,7,9,12H,3,6,8,17H2,1-2H3/t9-,12-/m0/s1
InChIKeyCUTITOJEPSLYNB-CABZTGNLSA-N
MW306.34 g/mol
LogP2.43
Rot. Bonds4

About (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one (PubChem CID 69413058) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one
PubChem CID69413058
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name(5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)n1ncc2cc(N3C[C@H](CN)OC3=O)cc(F)c21
InChIInChI=1S/C15H19FN4O2/c1-3-9(2)20-14-10(7-18-20)4-11(5-13(14)16)19-8-12(6-17)22-15(19)21/h4-5,7,9,12H,3,6,8,17H2,1-2H3/t9-,12-/m0/s1
InChIKeyCUTITOJEPSLYNB-CABZTGNLSA-N
XLogP2.43
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one (CID 69413058) is (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one is CC[C@H](C)n1ncc2cc(N3C[C@H](CN)OC3=O)cc(F)c21.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is CUTITOJEPSLYNB-CABZTGNLSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-3-9(2)20-14-10(7-18-20)4-11(5-13(14)16)19-8-12(6-17)22-15(19)21/h4-5,7,9,12H,3,6,8,17H2,1-2H3/t9-,12-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 306.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69413058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).