5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole

C15H8ClF3N2O2 — CID 146976068

IUPAC5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole
SMILESFc1cc(Cl)cnc1Oc1ccccc1-c1cc(C(F)F)no1
InChIInChI=1S/C15H8ClF3N2O2/c16-8-5-10(17)15(20-7-8)22-12-4-2-1-3-9(12)13-6-11(14(18)19)21-23-13/h1-7,14H
InChIKeyANJMXSLOHUWQJN-UHFFFAOYSA-N
MW340.69 g/mol
LogP5.26
Rot. Bonds4

About 5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole

5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole (PubChem CID 146976068) has the molecular formula C15H8ClF3N2O2 and a molecular weight of 340.69 g/mol. Its IUPAC name is 5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole
PubChem CID146976068
Molecular FormulaC15H8ClF3N2O2
Molecular Weight340.69 g/mol
Exact Mass340.02
IUPAC Name5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole
SMILESFc1cc(Cl)cnc1Oc1ccccc1-c1cc(C(F)F)no1
InChIInChI=1S/C15H8ClF3N2O2/c16-8-5-10(17)15(20-7-8)22-12-4-2-1-3-9(12)13-6-11(14(18)19)21-23-13/h1-7,14H
InChIKeyANJMXSLOHUWQJN-UHFFFAOYSA-N
XLogP5.26
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.69
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole?
The IUPAC name of 5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole (CID 146976068) is 5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole is Fc1cc(Cl)cnc1Oc1ccccc1-c1cc(C(F)F)no1.
What is the InChIKey of 5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole?
The InChIKey is ANJMXSLOHUWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O2/c16-8-5-10(17)15(20-7-8)22-12-4-2-1-3-9(12)13-6-11(14(18)19)21-23-13/h1-7,14H.
What are the key properties of 5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole?
5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole has a molecular weight of 340.69 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole is sourced from PubChem (CID 146976068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).