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

C17H13FN4O — CID 21334392

IUPAC5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C17H13FN4O/c1-11-19-17(23-21-11)16-13-7-3-5-9-15(13)22(20-16)10-12-6-2-4-8-14(12)18/h2-9H,10H2,1H3
InChIKeyXFFSMPGCSIDMMG-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.58
Rot. Bonds3

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

5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 21334392) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID21334392
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C17H13FN4O/c1-11-19-17(23-21-11)16-13-7-3-5-9-15(13)22(20-16)10-12-6-2-4-8-14(12)18/h2-9H,10H2,1H3
InChIKeyXFFSMPGCSIDMMG-UHFFFAOYSA-N
XLogP3.58
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole (CID 21334392) is 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2nn(Cc3ccccc3F)c3ccccc23)n1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is XFFSMPGCSIDMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-11-19-17(23-21-11)16-13-7-3-5-9-15(13)22(20-16)10-12-6-2-4-8-14(12)18/h2-9H,10H2,1H3.
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 308.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 21334392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).