5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C24H24FN3O4 — CID 90770857

IUPAC5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(C2=CC(C)(c3nc(-c4ccc(F)cc4)no3)ON2)cc1OC1CCCC1
InChIInChI=1S/C24H24FN3O4/c1-24(23-26-22(28-31-23)15-7-10-17(25)11-8-15)14-19(27-32-24)16-9-12-20(29-2)21(13-16)30-18-5-3-4-6-18/h7-14,18,27H,3-6H2,1-2H3
InChIKeyZLGKMOIIWWKNDX-UHFFFAOYSA-N
MW437.47 g/mol
LogP5.00
Rot. Bonds6

About 5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 90770857) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID90770857
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(C2=CC(C)(c3nc(-c4ccc(F)cc4)no3)ON2)cc1OC1CCCC1
InChIInChI=1S/C24H24FN3O4/c1-24(23-26-22(28-31-23)15-7-10-17(25)11-8-15)14-19(27-32-24)16-9-12-20(29-2)21(13-16)30-18-5-3-4-6-18/h7-14,18,27H,3-6H2,1-2H3
InChIKeyZLGKMOIIWWKNDX-UHFFFAOYSA-N
XLogP5.00
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 90770857) is 5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is COc1ccc(C2=CC(C)(c3nc(-c4ccc(F)cc4)no3)ON2)cc1OC1CCCC1.
What is the InChIKey of 5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is ZLGKMOIIWWKNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-24(23-26-22(28-31-23)15-7-10-17(25)11-8-15)14-19(27-32-24)16-9-12-20(29-2)21(13-16)30-18-5-3-4-6-18/h7-14,18,27H,3-6H2,1-2H3.
What are the key properties of 5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 437.47 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 90770857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).