5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one

C13H15N3O2 — CID 146425062

IUPAC5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCN1CC(C)(C)c2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C13H15N3O2/c1-13(2)7-16(3)10-5-4-8(6-9(10)13)11-14-15-12(17)18-11/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyWGCLKBRWMSEPSB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.76
Rot. Bonds1

About 5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one

5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 146425062) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID146425062
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one
SMILESCN1CC(C)(C)c2cc(-c3n[nH]c(=O)o3)ccc21
InChIInChI=1S/C13H15N3O2/c1-13(2)7-16(3)10-5-4-8(6-9(10)13)11-14-15-12(17)18-11/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyWGCLKBRWMSEPSB-UHFFFAOYSA-N
XLogP1.76
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.76
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-(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
5-(1-Isopropylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146438029

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one (CID 146425062) is 5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one is CN1CC(C)(C)c2cc(-c3n[nH]c(=O)o3)ccc21.
What is the InChIKey of 5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is WGCLKBRWMSEPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(2)7-16(3)10-5-4-8(6-9(10)13)11-14-15-12(17)18-11/h4-6H,7H2,1-3H3,(H,15,17).
What are the key properties of 5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one?
5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,3-trimethyl-2H-indol-5-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 146425062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).