3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole

C13H9ClFN3O3 — CID 138455283

IUPAC3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole
SMILESFc1cc(COCc2cc(-c3ccc(Cl)nc3)no2)on1
InChIInChI=1S/C13H9ClFN3O3/c14-12-2-1-8(5-16-12)11-3-9(20-17-11)6-19-7-10-4-13(15)18-21-10/h1-5H,6-7H2
InChIKeyINFLCBMMYQXCPK-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.23
Rot. Bonds5

About 3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole

3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole (PubChem CID 138455283) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole
PubChem CID138455283
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC Name3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole
SMILESFc1cc(COCc2cc(-c3ccc(Cl)nc3)no2)on1
InChIInChI=1S/C13H9ClFN3O3/c14-12-2-1-8(5-16-12)11-3-9(20-17-11)6-19-7-10-4-13(15)18-21-10/h1-5H,6-7H2
InChIKeyINFLCBMMYQXCPK-UHFFFAOYSA-N
XLogP3.23
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole (CID 138455283) is 3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole is Fc1cc(COCc2cc(-c3ccc(Cl)nc3)no2)on1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole?
The InChIKey is INFLCBMMYQXCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c14-12-2-1-8(5-16-12)11-3-9(20-17-11)6-19-7-10-4-13(15)18-21-10/h1-5H,6-7H2.
What are the key properties of 3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole?
3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole has a molecular weight of 309.68 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-5-[(3-fluoro-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole is sourced from PubChem (CID 138455283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).