2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole

C20H14FN5O2S — CID 135687408

IUPAC2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2noc(CSc3nnc(-c4c[nH]c5ccccc45)o3)n2)cc1F
InChIInChI=1S/C20H14FN5O2S/c1-11-6-7-12(8-15(11)21)18-23-17(28-26-18)10-29-20-25-24-19(27-20)14-9-22-16-5-3-2-4-13(14)16/h2-9,22H,10H2,1H3
InChIKeyHCGPUSQNSHSTTO-UHFFFAOYSA-N
MW407.43 g/mol
LogP5.01
Rot. Bonds5

About 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole

2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole (PubChem CID 135687408) has the molecular formula C20H14FN5O2S and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
PubChem CID135687408
Molecular FormulaC20H14FN5O2S
Molecular Weight407.43 g/mol
Exact Mass407.09
IUPAC Name2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2noc(CSc3nnc(-c4c[nH]c5ccccc45)o3)n2)cc1F
InChIInChI=1S/C20H14FN5O2S/c1-11-6-7-12(8-15(11)21)18-23-17(28-26-18)10-29-20-25-24-19(27-20)14-9-22-16-5-3-2-4-13(14)16/h2-9,22H,10H2,1H3
InChIKeyHCGPUSQNSHSTTO-UHFFFAOYSA-N
XLogP5.01
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 135623350
2-(1H-indol-3-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 135798291
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135558011
2-(2-fluorophenyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8522890
2-benzylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 858959
3-(4-chlorophenyl)-5-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 2230054
2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 4821152
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135588019
2-(2-methylphenyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 8889827
3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
CID 71943476
2-(furan-2-yl)-5-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 135569596
2-(1H-indol-3-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 858951

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole (CID 135687408) is 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole is Cc1ccc(-c2noc(CSc3nnc(-c4c[nH]c5ccccc45)o3)n2)cc1F.
What is the InChIKey of 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The InChIKey is HCGPUSQNSHSTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2S/c1-11-6-7-12(8-15(11)21)18-23-17(28-26-18)10-29-20-25-24-19(27-20)14-9-22-16-5-3-2-4-13(14)16/h2-9,22H,10H2,1H3.
What are the key properties of 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole has a molecular weight of 407.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 135687408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).