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

C18H11ClFN3O2 — CID 2742667

IUPAC5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H11ClFN3O2/c1-10-14(16(22-24-10)15-12(19)8-5-9-13(15)20)18-21-17(23-25-18)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyDQTWKTCBUXBVCC-UHFFFAOYSA-N
MW355.76 g/mol
LogP5.16
Rot. Bonds3

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

5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 2742667) has the molecular formula C18H11ClFN3O2 and a molecular weight of 355.76 g/mol. Its IUPAC name is 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID2742667
Molecular FormulaC18H11ClFN3O2
Molecular Weight355.76 g/mol
Exact Mass355.05
IUPAC Name5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H11ClFN3O2/c1-10-14(16(22-24-10)15-12(19)8-5-9-13(15)20)18-21-17(23-25-18)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyDQTWKTCBUXBVCC-UHFFFAOYSA-N
XLogP5.16
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.76
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 2742667) is 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole is Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is DQTWKTCBUXBVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O2/c1-10-14(16(22-24-10)15-12(19)8-5-9-13(15)20)18-21-17(23-25-18)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of 5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 355.76 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2742667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).