[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate

C16H10ClFN2O3 — CID 138465110

IUPAC[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2F)no1)c1cccnc1Cl
InChIInChI=1S/C16H10ClFN2O3/c17-15-12(5-3-7-19-15)16(21)22-9-10-8-14(20-23-10)11-4-1-2-6-13(11)18/h1-8H,9H2
InChIKeyUYWIEKXTJUIGHG-UHFFFAOYSA-N
MW332.72 g/mol
LogP3.89
Rot. Bonds4

About [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate

[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate (PubChem CID 138465110) has the molecular formula C16H10ClFN2O3 and a molecular weight of 332.72 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate
PubChem CID138465110
Molecular FormulaC16H10ClFN2O3
Molecular Weight332.72 g/mol
Exact Mass332.04
IUPAC Name[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2F)no1)c1cccnc1Cl
InChIInChI=1S/C16H10ClFN2O3/c17-15-12(5-3-7-19-15)16(21)22-9-10-8-14(20-23-10)11-4-1-2-6-13(11)18/h1-8H,9H2
InChIKeyUYWIEKXTJUIGHG-UHFFFAOYSA-N
XLogP3.89
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.72
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate?
The IUPAC name of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate (CID 138465110) is [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate?
The canonical SMILES for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate is O=C(OCc1cc(-c2ccccc2F)no1)c1cccnc1Cl.
What is the InChIKey of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate?
The InChIKey is UYWIEKXTJUIGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O3/c17-15-12(5-3-7-19-15)16(21)22-9-10-8-14(20-23-10)11-4-1-2-6-13(11)18/h1-8H,9H2.
What are the key properties of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate?
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate has a molecular weight of 332.72 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 138465110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).