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

C18H15N3OS — CID 135623350

IUPAC2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H15N3OS/c1-12-6-2-3-7-13(12)11-23-18-21-20-17(22-18)15-10-19-16-9-5-4-8-14(15)16/h2-10,19H,11H2,1H3
InChIKeyBDZCSXFZQSYKGB-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.82
Rot. Bonds4

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

2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 135623350) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID135623350
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H15N3OS/c1-12-6-2-3-7-13(12)11-23-18-21-20-17(22-18)15-10-19-16-9-5-4-8-14(15)16/h2-10,19H,11H2,1H3
InChIKeyBDZCSXFZQSYKGB-UHFFFAOYSA-N
XLogP4.82
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 858959
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135558011
2-(1H-indol-3-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 135798291
2-(1H-indol-3-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 858951
2-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135813308
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135588019
(1R)-2-(1H-indol-3-yl)-1-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 6556882
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135687408
2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
CID 135667478
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-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 4821152

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 135623350) is 2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole is Cc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is BDZCSXFZQSYKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-6-2-3-7-13(12)11-23-18-21-20-17(22-18)15-10-19-16-9-5-4-8-14(15)16/h2-10,19H,11H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 321.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 135623350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).