5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole

C16H10FN3O2 — CID 53140999

IUPAC5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4ccc(F)cc4)n3)ccc2o1
InChIInChI=1S/C16H10FN3O2/c1-9-18-13-8-11(4-7-14(13)21-9)15-19-16(22-20-15)10-2-5-12(17)6-3-10/h2-8H,1H3
InChIKeyIZYJNPUPPRNEMK-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.99
Rot. Bonds2

About 5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole

5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole (PubChem CID 53140999) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
PubChem CID53140999
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Name5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4ccc(F)cc4)n3)ccc2o1
InChIInChI=1S/C16H10FN3O2/c1-9-18-13-8-11(4-7-14(13)21-9)15-19-16(22-20-15)10-2-5-12(17)6-3-10/h2-8H,1H3
InChIKeyIZYJNPUPPRNEMK-UHFFFAOYSA-N
XLogP3.99
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole (CID 53140999) is 5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole is Cc1nc2cc(-c3noc(-c4ccc(F)cc4)n3)ccc2o1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The InChIKey is IZYJNPUPPRNEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c1-9-18-13-8-11(4-7-14(13)21-9)15-19-16(22-20-15)10-2-5-12(17)6-3-10/h2-8H,1H3.
What are the key properties of 5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole has a molecular weight of 295.27 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 53140999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).