3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one

C15H11Cl2FN2O3 — CID 175982335

IUPAC3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(OCc2c(Cl)ccc(F)c2Cl)cn1
InChIInChI=1S/C15H11Cl2FN2O3/c16-11-2-3-12(18)14(17)10(11)8-23-9-1-4-13(19-7-9)20-5-6-22-15(20)21/h1-4,7H,5-6,8H2
InChIKeyWHBOXAWVWVZOKZ-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.06
Rot. Bonds4

About 3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one

3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 175982335) has the molecular formula C15H11Cl2FN2O3 and a molecular weight of 357.17 g/mol. Its IUPAC name is 3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID175982335
Molecular FormulaC15H11Cl2FN2O3
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC Name3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(OCc2c(Cl)ccc(F)c2Cl)cn1
InChIInChI=1S/C15H11Cl2FN2O3/c16-11-2-3-12(18)14(17)10(11)8-23-9-1-4-13(19-7-9)20-5-6-22-15(20)21/h1-4,7H,5-6,8H2
InChIKeyWHBOXAWVWVZOKZ-UHFFFAOYSA-N
XLogP4.06
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one (CID 175982335) is 3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(OCc2c(Cl)ccc(F)c2Cl)cn1.
What is the InChIKey of 3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is WHBOXAWVWVZOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O3/c16-11-2-3-12(18)14(17)10(11)8-23-9-1-4-13(19-7-9)20-5-6-22-15(20)21/h1-4,7H,5-6,8H2.
What are the key properties of 3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one?
3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 357.17 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,6-dichloro-3-fluorophenyl)methoxy]-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 175982335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).