5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C19H13F3N4O2 — CID 53022166

IUPAC5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)[nH]n2)c1
InChIInChI=1S/C19H13F3N4O2/c1-27-14-4-2-3-12(9-14)15-10-16(25-24-15)18-23-17(26-28-18)11-5-7-13(8-6-11)19(20,21)22/h2-10H,1H3,(H,24,25)
InChIKeyXTZHSKJVHRGFIS-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.82
Rot. Bonds4

About 5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 53022166) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID53022166
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC Name5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)[nH]n2)c1
InChIInChI=1S/C19H13F3N4O2/c1-27-14-4-2-3-12(9-14)15-10-16(25-24-15)18-23-17(26-28-18)11-5-7-13(8-6-11)19(20,21)22/h2-10H,1H3,(H,24,25)
InChIKeyXTZHSKJVHRGFIS-UHFFFAOYSA-N
XLogP4.82
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 53022166) is 5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is COc1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)[nH]n2)c1.
What is the InChIKey of 5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is XTZHSKJVHRGFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c1-27-14-4-2-3-12(9-14)15-10-16(25-24-15)18-23-17(26-28-18)11-5-7-13(8-6-11)19(20,21)22/h2-10H,1H3,(H,24,25).
What are the key properties of 5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 386.33 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53022166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).