2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone

C18H14ClN3O2S — CID 1164081

IUPAC2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSc1nnc(-c2cccc(Cl)c2)o1)N1CCc2ccccc21
InChIInChI=1S/C18H14ClN3O2S/c19-14-6-3-5-13(10-14)17-20-21-18(24-17)25-11-16(23)22-9-8-12-4-1-2-7-15(12)22/h1-7,10H,8-9,11H2
InChIKeyBXLNONCGTFMPPK-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.07
Rot. Bonds4

About 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 1164081) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID1164081
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CSc1nnc(-c2cccc(Cl)c2)o1)N1CCc2ccccc21
InChIInChI=1S/C18H14ClN3O2S/c19-14-6-3-5-13(10-14)17-20-21-18(24-17)25-11-16(23)22-9-8-12-4-1-2-7-15(12)22/h1-7,10H,8-9,11H2
InChIKeyBXLNONCGTFMPPK-UHFFFAOYSA-N
XLogP4.07
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 1164081) is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CSc1nnc(-c2cccc(Cl)c2)o1)N1CCc2ccccc21.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is BXLNONCGTFMPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-14-6-3-5-13(10-14)17-20-21-18(24-17)25-11-16(23)22-9-8-12-4-1-2-7-15(12)22/h1-7,10H,8-9,11H2.
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 371.85 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 1164081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).