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

C16H11Cl2FN2O — CID 4685787

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C16H11Cl2FN2O/c17-12-5-2-1-4-10(12)8-15-20-16(22-21-15)9-11-13(18)6-3-7-14(11)19/h1-7H,8-9H2
InChIKeyFRUOTTUZBPFECD-UHFFFAOYSA-N
MW337.18 g/mol
LogP4.70
Rot. Bonds4

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

5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 4685787) has the molecular formula C16H11Cl2FN2O and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID4685787
Molecular FormulaC16H11Cl2FN2O
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C16H11Cl2FN2O/c17-12-5-2-1-4-10(12)8-15-20-16(22-21-15)9-11-13(18)6-3-7-14(11)19/h1-7H,8-9H2
InChIKeyFRUOTTUZBPFECD-UHFFFAOYSA-N
XLogP4.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole (CID 4685787) is 5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole is Fc1cccc(Cl)c1Cc1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is FRUOTTUZBPFECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O/c17-12-5-2-1-4-10(12)8-15-20-16(22-21-15)9-11-13(18)6-3-7-14(11)19/h1-7H,8-9H2.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole?
5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 337.18 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 4685787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).