5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine

C14H17N5O — CID 10265207

IUPAC5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)CCc1c[nH]c2ccc(-c3nc(N)no3)cc12
InChIInChI=1S/C14H17N5O/c1-19(2)6-5-10-8-16-12-4-3-9(7-11(10)12)13-17-14(15)18-20-13/h3-4,7-8,16H,5-6H2,1-2H3,(H2,15,18)
InChIKeyUEGSNYPIMRRODQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.90
Rot. Bonds4

About 5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine

5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 10265207) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine
PubChem CID10265207
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)CCc1c[nH]c2ccc(-c3nc(N)no3)cc12
InChIInChI=1S/C14H17N5O/c1-19(2)6-5-10-8-16-12-4-3-9(7-11(10)12)13-17-14(15)18-20-13/h3-4,7-8,16H,5-6H2,1-2H3,(H2,15,18)
InChIKeyUEGSNYPIMRRODQ-UHFFFAOYSA-N
XLogP1.90
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine (CID 10265207) is 5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine is CN(C)CCc1c[nH]c2ccc(-c3nc(N)no3)cc12.
What is the InChIKey of 5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is UEGSNYPIMRRODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19(2)6-5-10-8-16-12-4-3-9(7-11(10)12)13-17-14(15)18-20-13/h3-4,7-8,16H,5-6H2,1-2H3,(H2,15,18).
What are the key properties of 5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine?
5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 271.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 10265207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).