5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

C17H10ClFN4O2 — CID 2742570

IUPAC5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C17H10ClFN4O2/c1-9-13(15(22-24-9)14-10(18)5-4-6-11(14)19)17-21-16(23-25-17)12-7-2-3-8-20-12/h2-8H,1H3
InChIKeyFLAKYPUOOBENKK-UHFFFAOYSA-N
MW356.74 g/mol
LogP4.55
Rot. Bonds3

About 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 2742570) has the molecular formula C17H10ClFN4O2 and a molecular weight of 356.74 g/mol. Its IUPAC name is 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID2742570
Molecular FormulaC17H10ClFN4O2
Molecular Weight356.74 g/mol
Exact Mass356.05
IUPAC Name5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C17H10ClFN4O2/c1-9-13(15(22-24-9)14-10(18)5-4-6-11(14)19)17-21-16(23-25-17)12-7-2-3-8-20-12/h2-8H,1H3
InChIKeyFLAKYPUOOBENKK-UHFFFAOYSA-N
XLogP4.55
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 2742570) is 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is FLAKYPUOOBENKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O2/c1-9-13(15(22-24-9)14-10(18)5-4-6-11(14)19)17-21-16(23-25-17)12-7-2-3-8-20-12/h2-8H,1H3.
What are the key properties of 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 356.74 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2742570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).