3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C12H10BrFN4O2 — CID 73069544

IUPAC3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2ccnn2)CN1c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN4O2/c13-10-2-1-8(5-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17/h1-5,9H,6-7H2
InChIKeySWZXGCYPNBJWDO-UHFFFAOYSA-N
MW341.14 g/mol
LogP2.21
Rot. Bonds3

About 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 73069544) has the molecular formula C12H10BrFN4O2 and a molecular weight of 341.14 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID73069544
Molecular FormulaC12H10BrFN4O2
Molecular Weight341.14 g/mol
Exact Mass340.00
IUPAC Name3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2ccnn2)CN1c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN4O2/c13-10-2-1-8(5-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17/h1-5,9H,6-7H2
InChIKeySWZXGCYPNBJWDO-UHFFFAOYSA-N
XLogP2.21
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 73069544) is 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(Cn2ccnn2)CN1c1ccc(Br)c(F)c1.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is SWZXGCYPNBJWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O2/c13-10-2-1-8(5-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17/h1-5,9H,6-7H2.
What are the key properties of 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 341.14 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 73069544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).