2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide

C19H16N4O2S — CID 4815021

IUPAC2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCC(Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H16N4O2S/c1-12(17(24)21-13-7-3-2-4-8-13)26-19-23-22-18(25-19)15-11-20-16-10-6-5-9-14(15)16/h2-12,20H,1H3,(H,21,24)
InChIKeyQLXYCRYWFXOPQH-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.34
Rot. Bonds5

About 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide

2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide (PubChem CID 4815021) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
PubChem CID4815021
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCC(Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H16N4O2S/c1-12(17(24)21-13-7-3-2-4-8-13)26-19-23-22-18(25-19)15-11-20-16-10-6-5-9-14(15)16/h2-12,20H,1H3,(H,21,24)
InChIKeyQLXYCRYWFXOPQH-UHFFFAOYSA-N
XLogP4.34
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The IUPAC name of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide (CID 4815021) is 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The canonical SMILES for 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide is CC(Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The InChIKey is QLXYCRYWFXOPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12(17(24)21-13-7-3-2-4-8-13)26-19-23-22-18(25-19)15-11-20-16-10-6-5-9-14(15)16/h2-12,20H,1H3,(H,21,24).
What are the key properties of 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide has a molecular weight of 364.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 4815021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).