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

C12H13N3O2 — CID 146424975

IUPAC5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCCN1CCc2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C12H13N3O2/c1-2-15-6-5-8-7-9(3-4-10(8)15)11-13-14-12(16)17-11/h3-4,7H,2,5-6H2,1H3,(H,14,16)
InChIKeyLKJFPUZRQJHFBJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.41
Rot. Bonds2

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

5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146424975) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146424975
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCCN1CCc2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C12H13N3O2/c1-2-15-6-5-8-7-9(3-4-10(8)15)11-13-14-12(16)17-11/h3-4,7H,2,5-6H2,1H3,(H,14,16)
InChIKeyLKJFPUZRQJHFBJ-UHFFFAOYSA-N
XLogP1.41
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.41
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-Morpholino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424925
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-(7-Chloro-1,3,3-trimethyl-indolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146424904
5-[1-(Cyclopropylmethyl)indolin-5-yl]-1,3,4-oxadiazol-2-ol
CID 146424934
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

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one (CID 146424975) is 5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one is CCN1CCc2cc(-c3n[nH]c(=O)o3)ccc21.
What is the InChIKey of 5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is LKJFPUZRQJHFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-15-6-5-8-7-9(3-4-10(8)15)11-13-14-12(16)17-11/h3-4,7H,2,5-6H2,1H3,(H,14,16).
What are the key properties of 5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146424975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).