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

C20H13ClN4OS — CID 141467458

IUPAC5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(Cn2nc(-c3nc(-c4cccs4)no3)c3ccccc32)cc1
InChIInChI=1S/C20H13ClN4OS/c21-14-9-7-13(8-10-14)12-25-16-5-2-1-4-15(16)18(23-25)20-22-19(24-26-20)17-6-3-11-27-17/h1-11H,12H2
InChIKeyJYOGHQLFIUODCB-UHFFFAOYSA-N
MW392.87 g/mol
LogP5.52
Rot. Bonds4

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

5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 141467458) has the molecular formula C20H13ClN4OS and a molecular weight of 392.87 g/mol. Its IUPAC name is 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID141467458
Molecular FormulaC20H13ClN4OS
Molecular Weight392.87 g/mol
Exact Mass392.05
IUPAC Name5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(Cn2nc(-c3nc(-c4cccs4)no3)c3ccccc32)cc1
InChIInChI=1S/C20H13ClN4OS/c21-14-9-7-13(8-10-14)12-25-16-5-2-1-4-15(16)18(23-25)20-22-19(24-26-20)17-6-3-11-27-17/h1-11H,12H2
InChIKeyJYOGHQLFIUODCB-UHFFFAOYSA-N
XLogP5.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.87
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 141467468
5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 17467879
1-[(4-chlorophenyl)methyl]-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587515
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742
5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 21334392
[5-[1-[(3-methylphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637062
5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332783
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849
[4-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]methanol
CID 21106955
N-[(4-chlorophenyl)methyl]-2-[(2S)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 95104348
2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole
CID 21334429
[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol
CID 18416669

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 141467458) is 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is Clc1ccc(Cn2nc(-c3nc(-c4cccs4)no3)c3ccccc32)cc1.
What is the InChIKey of 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is JYOGHQLFIUODCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4OS/c21-14-9-7-13(8-10-14)12-25-16-5-2-1-4-15(16)18(23-25)20-22-19(24-26-20)17-6-3-11-27-17/h1-11H,12H2.
What are the key properties of 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 392.87 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 141467458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).