5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine

C10H12N4O — CID 65416623

IUPAC5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
SMILESNCC(c1ccccc1)c1nc(N)no1
InChIInChI=1S/C10H12N4O/c11-6-8(7-4-2-1-3-5-7)9-13-10(12)14-15-9/h1-5,8H,6,11H2,(H2,12,14)
InChIKeyMGOXVMMNVVERJR-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.74
Rot. Bonds3

About 5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine

5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 65416623) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
PubChem CID65416623
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
SMILESNCC(c1ccccc1)c1nc(N)no1
InChIInChI=1S/C10H12N4O/c11-6-8(7-4-2-1-3-5-7)9-13-10(12)14-15-9/h1-5,8H,6,11H2,(H2,12,14)
InChIKeyMGOXVMMNVVERJR-UHFFFAOYSA-N
XLogP0.74
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine (CID 65416623) is 5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine is NCC(c1ccccc1)c1nc(N)no1.
What is the InChIKey of 5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is MGOXVMMNVVERJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-6-8(7-4-2-1-3-5-7)9-13-10(12)14-15-9/h1-5,8H,6,11H2,(H2,12,14).
What are the key properties of 5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine?
5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 204.23 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65416623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).