3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

C18H13FN4O — CID 19326400

IUPAC3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)no3)[nH]n2)cc1
InChIInChI=1S/C18H13FN4O/c1-11-2-4-12(5-3-11)15-10-16(22-21-15)18-20-17(23-24-18)13-6-8-14(19)9-7-13/h2-10H,1H3,(H,21,22)
InChIKeyHYTXFOYNCYVGAS-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.24
Rot. Bonds3

About 3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 19326400) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID19326400
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)no3)[nH]n2)cc1
InChIInChI=1S/C18H13FN4O/c1-11-2-4-12(5-3-11)15-10-16(22-21-15)18-20-17(23-24-18)13-6-8-14(19)9-7-13/h2-10H,1H3,(H,21,22)
InChIKeyHYTXFOYNCYVGAS-UHFFFAOYSA-N
XLogP4.24
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
5-(1-Benzyl-3-tert-butylpyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742654
5-(3-isopropyl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 8520597
3-(3-chlorophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 8520601
3-(4-chlorophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 8520604
3-(2-Methylphenyl)-5-[3-(propan-2-YL)-1H-pyrazol-5-YL]-1,2,4-oxadiazole
CID 16025859
5-(3-isopropyl-1H-pyrazol-5-yl)-3-(m-tolyl)-1,2,4-oxadiazole
CID 16025861
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16025918
(5-(1H-Indazol-1-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637357
5-[1-benzyl-3-(tert-butyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2742608
3-(4-bromophenyl)-5-(3-isopropyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 8520619
5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-phenyl-1,2,4-oxadiazole
CID 16025885

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (CID 19326400) is 3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is Cc1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)no3)[nH]n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is HYTXFOYNCYVGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-11-2-4-12(5-3-11)15-10-16(22-21-15)18-20-17(23-24-18)13-6-8-14(19)9-7-13/h2-10H,1H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 320.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 19326400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).