N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide

C19H18N4O4S — CID 24514872

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCn3nc(-c4cccs4)oc3=O)ccc21
InChIInChI=1S/C19H18N4O4S/c1-12(24)22-8-6-13-11-14(4-5-15(13)22)20-17(25)7-9-23-19(26)27-18(21-23)16-3-2-10-28-16/h2-5,10-11H,6-9H2,1H3,(H,20,25)
InChIKeyHALCRSCIHQHQNH-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.50
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide (PubChem CID 24514872) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
PubChem CID24514872
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCn3nc(-c4cccs4)oc3=O)ccc21
InChIInChI=1S/C19H18N4O4S/c1-12(24)22-8-6-13-11-14(4-5-15(13)22)20-17(25)7-9-23-19(26)27-18(21-23)16-3-2-10-28-16/h2-5,10-11H,6-9H2,1H3,(H,20,25)
InChIKeyHALCRSCIHQHQNH-UHFFFAOYSA-N
XLogP2.50
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide (CID 24514872) is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide is CC(=O)N1CCc2cc(NC(=O)CCn3nc(-c4cccs4)oc3=O)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The InChIKey is HALCRSCIHQHQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-12(24)22-8-6-13-11-14(4-5-15(13)22)20-17(25)7-9-23-19(26)27-18(21-23)16-3-2-10-28-16/h2-5,10-11H,6-9H2,1H3,(H,20,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide has a molecular weight of 398.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide is sourced from PubChem (CID 24514872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).