5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one

C12H11N3O3 — CID 146438039

IUPAC5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCC(=O)N1CCc2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C12H11N3O3/c1-7(16)15-5-4-8-6-9(2-3-10(8)15)11-13-14-12(17)18-11/h2-3,6H,4-5H2,1H3,(H,14,17)
InChIKeySCHCJUJYWBJRTE-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.94
Rot. Bonds1

About 5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one

5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146438039) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146438039
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCC(=O)N1CCc2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C12H11N3O3/c1-7(16)15-5-4-8-6-9(2-3-10(8)15)11-13-14-12(17)18-11/h2-3,6H,4-5H2,1H3,(H,14,17)
InChIKeySCHCJUJYWBJRTE-UHFFFAOYSA-N
XLogP0.94
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-ol
CID 85956355
5-(1-Methylindolin-6-yl)-1,3,4-oxadiazol-2-ol
CID 146425077
5-(1-Methylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146437789
5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 162676771
5-[4-(3,3-Difluoroazetidin-1-yl)-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424947
5-[4-Pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424983
5-[4-(3-Fluoroazetidin-1-yl)-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146425047
5-[1-(Cyclopropylmethyl)indolin-5-yl]-1,3,4-oxadiazol-2-ol
CID 146424934
5-(1-Ethylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146424975
5-(7-Chloro-1-methyl-indolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146425103
5-(1-Isopropylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146438029
5-(1′-Methylspiro[cyclopropane-1,3′-indolin]-5′-yl)-1,3,4-oxadiazol-2-ol
CID 156436936

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one (CID 146438039) is 5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one is CC(=O)N1CCc2cc(-c3n[nH]c(=O)o3)ccc21.
What is the InChIKey of 5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is SCHCJUJYWBJRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7(16)15-5-4-8-6-9(2-3-10(8)15)11-13-14-12(17)18-11/h2-3,6H,4-5H2,1H3,(H,14,17).
What are the key properties of 5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 245.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146438039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).