5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine

C11H14N4O — CID 65416617

IUPAC5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine
SMILESCc1ccc(NCCc2nc(N)no2)cc1
InChIInChI=1S/C11H14N4O/c1-8-2-4-9(5-3-8)13-7-6-10-14-11(12)15-16-10/h2-5,13H,6-7H2,1H3,(H2,12,15)
InChIKeyJHQVLUHSUVMMIB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.61
Rot. Bonds4

About 5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine

5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine (PubChem CID 65416617) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine
PubChem CID65416617
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine
SMILESCc1ccc(NCCc2nc(N)no2)cc1
InChIInChI=1S/C11H14N4O/c1-8-2-4-9(5-3-8)13-7-6-10-14-11(12)15-16-10/h2-5,13H,6-7H2,1H3,(H2,12,15)
InChIKeyJHQVLUHSUVMMIB-UHFFFAOYSA-N
XLogP1.61
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine (CID 65416617) is 5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine is Cc1ccc(NCCc2nc(N)no2)cc1.
What is the InChIKey of 5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is JHQVLUHSUVMMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-2-4-9(5-3-8)13-7-6-10-14-11(12)15-16-10/h2-5,13H,6-7H2,1H3,(H2,12,15).
What are the key properties of 5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine?
5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65416617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).