5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C23H14ClF3N4O — CID 141467460

IUPAC5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3nn(Cc4ccc(Cl)cc4)c4ccccc34)n2)cc1
InChIInChI=1S/C23H14ClF3N4O/c24-17-11-5-14(6-12-17)13-31-19-4-2-1-3-18(19)20(29-31)22-28-21(30-32-22)15-7-9-16(10-8-15)23(25,26)27/h1-12H,13H2
InChIKeyXCIQGSOFNBPNCB-UHFFFAOYSA-N
MW454.84 g/mol
LogP6.47
Rot. Bonds4

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

5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 141467460) has the molecular formula C23H14ClF3N4O and a molecular weight of 454.84 g/mol. Its IUPAC name is 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID141467460
Molecular FormulaC23H14ClF3N4O
Molecular Weight454.84 g/mol
Exact Mass454.08
IUPAC Name5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2noc(-c3nn(Cc4ccc(Cl)cc4)c4ccccc34)n2)cc1
InChIInChI=1S/C23H14ClF3N4O/c24-17-11-5-14(6-12-17)13-31-19-4-2-1-3-18(19)20(29-31)22-28-21(30-32-22)15-7-9-16(10-8-15)23(25,26)27/h1-12H,13H2
InChIKeyXCIQGSOFNBPNCB-UHFFFAOYSA-N
XLogP6.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.84
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 141467460) is 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(-c2noc(-c3nn(Cc4ccc(Cl)cc4)c4ccccc34)n2)cc1.
What is the InChIKey of 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is XCIQGSOFNBPNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N4O/c24-17-11-5-14(6-12-17)13-31-19-4-2-1-3-18(19)20(29-31)22-28-21(30-32-22)15-7-9-16(10-8-15)23(25,26)27/h1-12H,13H2.
What are the key properties of 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 454.84 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 141467460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).