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

C17H19FN6O2 — CID 24738244

IUPAC(5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC[C@H](C)n1ncc2cc(N3C[C@H](Cn4ccnn4)OC3=O)cc(F)c21
InChIInChI=1S/C17H19FN6O2/c1-3-11(2)24-16-12(8-20-24)6-13(7-15(16)18)23-10-14(26-17(23)25)9-22-5-4-19-21-22/h4-8,11,14H,3,9-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyOHBOJKNOQFOUCV-FZMZJTMJSA-N
MW358.38 g/mol
LogP2.76
Rot. Bonds5

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

(5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 24738244) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is (5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID24738244
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name(5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC[C@H](C)n1ncc2cc(N3C[C@H](Cn4ccnn4)OC3=O)cc(F)c21
InChIInChI=1S/C17H19FN6O2/c1-3-11(2)24-16-12(8-20-24)6-13(7-15(16)18)23-10-14(26-17(23)25)9-22-5-4-19-21-22/h4-8,11,14H,3,9-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyOHBOJKNOQFOUCV-FZMZJTMJSA-N
XLogP2.76
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 24738244) is (5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CC[C@H](C)n1ncc2cc(N3C[C@H](Cn4ccnn4)OC3=O)cc(F)c21.
What is the InChIKey of (5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is OHBOJKNOQFOUCV-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H19FN6O2/c1-3-11(2)24-16-12(8-20-24)6-13(7-15(16)18)23-10-14(26-17(23)25)9-22-5-4-19-21-22/h4-8,11,14H,3,9-10H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of (5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 358.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[1-[(2S)-butan-2-yl]-7-fluoroindazol-5-yl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24738244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).