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

C16H15N3O2S — CID 9209386

IUPAC2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CC2)o1
InChIInChI=1S/C16H15N3O2S/c1-9-14(11-4-2-3-5-12(11)17-9)13(20)8-22-16-19-18-15(21-16)10-6-7-10/h2-5,10,17H,6-8H2,1H3
InChIKeyDASCMQFCJZZRHT-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.71
Rot. Bonds5

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

2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 9209386) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID9209386
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CC2)o1
InChIInChI=1S/C16H15N3O2S/c1-9-14(11-4-2-3-5-12(11)17-9)13(20)8-22-16-19-18-15(21-16)10-6-7-10/h2-5,10,17H,6-8H2,1H3
InChIKeyDASCMQFCJZZRHT-UHFFFAOYSA-N
XLogP3.71
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 9209386) is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CC2)o1.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is DASCMQFCJZZRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-9-14(11-4-2-3-5-12(11)17-9)13(20)8-22-16-19-18-15(21-16)10-6-7-10/h2-5,10,17H,6-8H2,1H3.
What are the key properties of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 313.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 9209386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).