[(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol

C13H15FN4O2 — CID 72736708

IUPAC[(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol
SMILESCN1O[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1CO
InChIInChI=1S/C13H15FN4O2/c1-17-11(8-19)6-13(20-17)18-7-12(15-16-18)9-2-4-10(14)5-3-9/h2-5,7,11,13,19H,6,8H2,1H3/t11-,13+/m1/s1
InChIKeyPVHWARVOCSYHET-YPMHNXCESA-N
MW278.29 g/mol
LogP1.21
Rot. Bonds3

About [(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol

[(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol (PubChem CID 72736708) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is [(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol
PubChem CID72736708
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name[(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol
SMILESCN1O[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1CO
InChIInChI=1S/C13H15FN4O2/c1-17-11(8-19)6-13(20-17)18-7-12(15-16-18)9-2-4-10(14)5-3-9/h2-5,7,11,13,19H,6,8H2,1H3/t11-,13+/m1/s1
InChIKeyPVHWARVOCSYHET-YPMHNXCESA-N
XLogP1.21
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol?
The IUPAC name of [(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol (CID 72736708) is [(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol?
The canonical SMILES for [(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol is CN1O[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1CO.
What is the InChIKey of [(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol?
The InChIKey is PVHWARVOCSYHET-YPMHNXCESA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-17-11(8-19)6-13(20-17)18-7-12(15-16-18)9-2-4-10(14)5-3-9/h2-5,7,11,13,19H,6,8H2,1H3/t11-,13+/m1/s1.
What are the key properties of [(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol?
[(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol has a molecular weight of 278.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-methyl-1,2-oxazolidin-3-yl]methanol is sourced from PubChem (CID 72736708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).