(5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one

C16H17FN6O2 — CID 24738241

IUPAC(5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one
SMILESCC(C)n1ncc2cc(N3C[C@H](Cn4cc(F)nn4)OC3=O)ccc21
InChIInChI=1S/C16H17FN6O2/c1-10(2)23-14-4-3-12(5-11(14)6-18-23)22-8-13(25-16(22)24)7-21-9-15(17)19-20-21/h3-6,9-10,13H,7-8H2,1-2H3/t13-/m0/s1
InChIKeyVZTYCHDXLXWLGB-ZDUSSCGKSA-N
MW344.35 g/mol
LogP2.37
Rot. Bonds4

About (5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one

(5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one (PubChem CID 24738241) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is (5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one
PubChem CID24738241
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name(5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one
SMILESCC(C)n1ncc2cc(N3C[C@H](Cn4cc(F)nn4)OC3=O)ccc21
InChIInChI=1S/C16H17FN6O2/c1-10(2)23-14-4-3-12(5-11(14)6-18-23)22-8-13(25-16(22)24)7-21-9-15(17)19-20-21/h3-6,9-10,13H,7-8H2,1-2H3/t13-/m0/s1
InChIKeyVZTYCHDXLXWLGB-ZDUSSCGKSA-N
XLogP2.37
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one (CID 24738241) is (5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one is CC(C)n1ncc2cc(N3C[C@H](Cn4cc(F)nn4)OC3=O)ccc21.
What is the InChIKey of (5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is VZTYCHDXLXWLGB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17FN6O2/c1-10(2)23-14-4-3-12(5-11(14)6-18-23)22-8-13(25-16(22)24)7-21-9-15(17)19-20-21/h3-6,9-10,13H,7-8H2,1-2H3/t13-/m0/s1.
What are the key properties of (5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one?
(5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 344.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-fluorotriazol-1-yl)methyl]-3-(1-propan-2-ylindazol-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24738241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).