3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C12H10FIN4O2 — CID 23404137

IUPAC3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2ccnn2)CN1c1ccc(I)c(F)c1
InChIInChI=1S/C12H10FIN4O2/c13-10-5-8(1-2-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17/h1-5,9H,6-7H2
InChIKeyKPEMSGMCGMPKSL-UHFFFAOYSA-N
MW388.14 g/mol
LogP2.05
Rot. Bonds3

About 3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23404137) has the molecular formula C12H10FIN4O2 and a molecular weight of 388.14 g/mol. Its IUPAC name is 3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID23404137
Molecular FormulaC12H10FIN4O2
Molecular Weight388.14 g/mol
Exact Mass387.98
IUPAC Name3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2ccnn2)CN1c1ccc(I)c(F)c1
InChIInChI=1S/C12H10FIN4O2/c13-10-5-8(1-2-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17/h1-5,9H,6-7H2
InChIKeyKPEMSGMCGMPKSL-UHFFFAOYSA-N
XLogP2.05
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.14
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23404137) is 3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(Cn2ccnn2)CN1c1ccc(I)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is KPEMSGMCGMPKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FIN4O2/c13-10-5-8(1-2-11(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-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 388.14 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-iodophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23404137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).