5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole

C18H17FN2O2 — CID 42692370

IUPAC5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1cc(C)c(C)c(OCc2noc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C18H17FN2O2/c1-11-7-12(2)13(3)16(8-11)22-10-17-20-18(23-21-17)14-5-4-6-15(19)9-14/h4-9H,10H2,1-3H3
InChIKeyJZBYNNUMOICXSA-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.38
Rot. Bonds4

About 5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole

5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 42692370) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID42692370
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1cc(C)c(C)c(OCc2noc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C18H17FN2O2/c1-11-7-12(2)13(3)16(8-11)22-10-17-20-18(23-21-17)14-5-4-6-15(19)9-14/h4-9H,10H2,1-3H3
InChIKeyJZBYNNUMOICXSA-UHFFFAOYSA-N
XLogP4.38
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole (CID 42692370) is 5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole is Cc1cc(C)c(C)c(OCc2noc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is JZBYNNUMOICXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-7-12(2)13(3)16(8-11)22-10-17-20-18(23-21-17)14-5-4-6-15(19)9-14/h4-9H,10H2,1-3H3.
What are the key properties of 5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 312.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42692370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).