3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole

C17H12FN5O — CID 68642219

IUPAC3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ncon1
InChIInChI=1S/C17H12FN5O/c18-13-6-2-1-5-12(13)10-23-16(17-20-11-24-22-17)9-15(21-23)14-7-3-4-8-19-14/h1-9,11H,10H2
InChIKeyRCGUWGVMNBQVBO-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.18
Rot. Bonds4

About 3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole

3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 68642219) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID68642219
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ncon1
InChIInChI=1S/C17H12FN5O/c18-13-6-2-1-5-12(13)10-23-16(17-20-11-24-22-17)9-15(21-23)14-7-3-4-8-19-14/h1-9,11H,10H2
InChIKeyRCGUWGVMNBQVBO-UHFFFAOYSA-N
XLogP3.18
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US11136337, Example 2.3
CID 139382003
US11136337, Example 2.1
CID 139382186
N-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16188694
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-N-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 16189947
US11066396, Example 389
CID 132258433
US11066396, Example 58
CID 132258534
US11066396, Example 391
CID 132259581
US11066396, Example 96
CID 132259953
3-[(3-Phenylindazol-1-yl)methyl]-1,2,4-oxadiazole
CID 73504346
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 16189859
5-[[6-[3-(Difluoromethyl)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 155388719
5-[[6-[2-Fluoro-3-(trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 155389079

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole (CID 68642219) is 3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole is Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ncon1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is RCGUWGVMNBQVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-13-6-2-1-5-12(13)10-23-16(17-20-11-24-22-17)9-15(21-23)14-7-3-4-8-19-14/h1-9,11H,10H2.
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole?
3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 321.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 68642219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).