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

C13H15N3O2 — CID 146438029

IUPAC5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCC(C)N1CCc2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C13H15N3O2/c1-8(2)16-6-5-9-7-10(3-4-11(9)16)12-14-15-13(17)18-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)
InChIKeyDVPYKVDWOMZGCJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.80
Rot. Bonds2

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

5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146438029) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146438029
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCC(C)N1CCc2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C13H15N3O2/c1-8(2)16-6-5-9-7-10(3-4-11(9)16)12-14-15-13(17)18-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)
InChIKeyDVPYKVDWOMZGCJ-UHFFFAOYSA-N
XLogP1.80
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.80
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-(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

Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one (CID 146438029) is 5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one is CC(C)N1CCc2cc(-c3n[nH]c(=O)o3)ccc21.
What is the InChIKey of 5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is DVPYKVDWOMZGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(2)16-6-5-9-7-10(3-4-11(9)16)12-14-15-13(17)18-12/h3-4,7-8H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one?
5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-yl-2,3-dihydroindol-5-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146438029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).