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

C16H10ClFN4O — CID 166213440

IUPAC3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole
SMILESFc1ccc(Cc2noc(-c3cccc4[nH]ncc34)n2)c(Cl)c1
InChIInChI=1S/C16H10ClFN4O/c17-13-7-10(18)5-4-9(13)6-15-20-16(23-22-15)11-2-1-3-14-12(11)8-19-21-14/h1-5,7-8H,6H2,(H,19,21)
InChIKeyKAQNPTZFPOUSPC-UHFFFAOYSA-N
MW328.73 g/mol
LogP4.00
Rot. Bonds3

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

3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole (PubChem CID 166213440) has the molecular formula C16H10ClFN4O and a molecular weight of 328.73 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole
PubChem CID166213440
Molecular FormulaC16H10ClFN4O
Molecular Weight328.73 g/mol
Exact Mass328.05
IUPAC Name3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole
SMILESFc1ccc(Cc2noc(-c3cccc4[nH]ncc34)n2)c(Cl)c1
InChIInChI=1S/C16H10ClFN4O/c17-13-7-10(18)5-4-9(13)6-15-20-16(23-22-15)11-2-1-3-14-12(11)8-19-21-14/h1-5,7-8H,6H2,(H,19,21)
InChIKeyKAQNPTZFPOUSPC-UHFFFAOYSA-N
XLogP4.00
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole (CID 166213440) is 3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole is Fc1ccc(Cc2noc(-c3cccc4[nH]ncc34)n2)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is KAQNPTZFPOUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O/c17-13-7-10(18)5-4-9(13)6-15-20-16(23-22-15)11-2-1-3-14-12(11)8-19-21-14/h1-5,7-8H,6H2,(H,19,21).
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole?
3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 328.73 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-indazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166213440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).