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

C7H14N4O — CID 18349096

IUPAC5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
SMILESCC(C)NCCc1nc(N)no1
InChIInChI=1S/C7H14N4O/c1-5(2)9-4-3-6-10-7(8)11-12-6/h5,9H,3-4H2,1-2H3,(H2,8,11)
InChIKeyMGGIVCQTXPEXHO-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.19
Rot. Bonds4

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

5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine (PubChem CID 18349096) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
PubChem CID18349096
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
SMILESCC(C)NCCc1nc(N)no1
InChIInChI=1S/C7H14N4O/c1-5(2)9-4-3-6-10-7(8)11-12-6/h5,9H,3-4H2,1-2H3,(H2,8,11)
InChIKeyMGGIVCQTXPEXHO-UHFFFAOYSA-N
XLogP0.19
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine (CID 18349096) is 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine is CC(C)NCCc1nc(N)no1.
What is the InChIKey of 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is MGGIVCQTXPEXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(2)9-4-3-6-10-7(8)11-12-6/h5,9H,3-4H2,1-2H3,(H2,8,11).
What are the key properties of 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine?
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 170.22 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 18349096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).