3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C13H13FN4O2 — CID 21071321

IUPAC3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cn(CC2CN(c3cccc(F)c3)C(=O)O2)nn1
InChIInChI=1S/C13H13FN4O2/c1-9-6-17(16-15-9)7-12-8-18(13(19)20-12)11-4-2-3-10(14)5-11/h2-6,12H,7-8H2,1H3
InChIKeyUZGDNAPEIIAPRR-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.75
Rot. Bonds3

About 3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 21071321) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID21071321
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cn(CC2CN(c3cccc(F)c3)C(=O)O2)nn1
InChIInChI=1S/C13H13FN4O2/c1-9-6-17(16-15-9)7-12-8-18(13(19)20-12)11-4-2-3-10(14)5-11/h2-6,12H,7-8H2,1H3
InChIKeyUZGDNAPEIIAPRR-UHFFFAOYSA-N
XLogP1.75
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 21071321) is 3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1cn(CC2CN(c3cccc(F)c3)C(=O)O2)nn1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is UZGDNAPEIIAPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-9-6-17(16-15-9)7-12-8-18(13(19)20-12)11-4-2-3-10(14)5-11/h2-6,12H,7-8H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 276.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 21071321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).