1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C19H15N3O2S — CID 2243319

IUPAC1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H15N3O2S/c1-12-17(14-9-5-6-10-15(14)20-12)16(23)11-25-19-22-21-18(24-19)13-7-3-2-4-8-13/h2-10,20H,11H2,1H3
InChIKeyMXTBKIUMGZMOQC-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.50
Rot. Bonds5

About 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 2243319) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID2243319
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H15N3O2S/c1-12-17(14-9-5-6-10-15(14)20-12)16(23)11-25-19-22-21-18(24-19)13-7-3-2-4-8-13/h2-10,20H,11H2,1H3
InChIKeyMXTBKIUMGZMOQC-UHFFFAOYSA-N
XLogP4.50
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 2243319) is 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is MXTBKIUMGZMOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-17(14-9-5-6-10-15(14)20-12)16(23)11-25-19-22-21-18(24-19)13-7-3-2-4-8-13/h2-10,20H,11H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 349.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 2243319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).