2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole

C15H15N3OS — CID 3436588

IUPAC2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
SMILESC=CCSc1nnc(Cc2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C15H15N3OS/c1-3-8-20-15-18-17-14(19-15)9-12-10(2)16-13-7-5-4-6-11(12)13/h3-7,16H,1,8-9H2,2H3
InChIKeyOOXSVVLDVANMSX-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.73
Rot. Bonds5

About 2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole

2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole (PubChem CID 3436588) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
PubChem CID3436588
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
SMILESC=CCSc1nnc(Cc2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C15H15N3OS/c1-3-8-20-15-18-17-14(19-15)9-12-10(2)16-13-7-5-4-6-11(12)13/h3-7,16H,1,8-9H2,2H3
InChIKeyOOXSVVLDVANMSX-UHFFFAOYSA-N
XLogP3.73
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole (CID 3436588) is 2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole is C=CCSc1nnc(Cc2c(C)[nH]c3ccccc23)o1.
What is the InChIKey of 2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole?
The InChIKey is OOXSVVLDVANMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-8-20-15-18-17-14(19-15)9-12-10(2)16-13-7-5-4-6-11(12)13/h3-7,16H,1,8-9H2,2H3.
What are the key properties of 2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole?
2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole has a molecular weight of 285.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indol-3-yl)methyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 3436588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).