2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

C22H19N3O2S — CID 1390051

IUPAC2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
SMILESO=C(CSc1nnc(-c2ccccc2)o1)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C22H19N3O2S/c26-20(14-28-22-24-23-21(27-22)15-8-2-1-3-9-15)25-18-12-6-4-10-16(18)17-11-5-7-13-19(17)25/h1-4,6,8-10,12H,5,7,11,13-14H2
InChIKeyFUNXTUGTSDPBLF-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.00
Rot. Bonds4

About 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone (PubChem CID 1390051) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.

Molecular Properties

Compound Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
PubChem CID1390051
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
SMILESO=C(CSc1nnc(-c2ccccc2)o1)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C22H19N3O2S/c26-20(14-28-22-24-23-21(27-22)15-8-2-1-3-9-15)25-18-12-6-4-10-16(18)17-11-5-7-13-19(17)25/h1-4,6,8-10,12H,5,7,11,13-14H2
InChIKeyFUNXTUGTSDPBLF-UHFFFAOYSA-N
XLogP5.00
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone (CID 1390051) is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.
What is the SMILES notation for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The canonical SMILES for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone is O=C(CSc1nnc(-c2ccccc2)o1)n1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The InChIKey is FUNXTUGTSDPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-20(14-28-22-24-23-21(27-22)15-8-2-1-3-9-15)25-18-12-6-4-10-16(18)17-11-5-7-13-19(17)25/h1-4,6,8-10,12H,5,7,11,13-14H2.
What are the key properties of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone has a molecular weight of 389.48 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone is sourced from PubChem (CID 1390051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).