5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine

C11H15N3O — CID 129188364

IUPAC5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESCCC1(c2ccccc2)N=C(N)N(C)O1
InChIInChI=1S/C11H15N3O/c1-3-11(9-7-5-4-6-8-9)13-10(12)14(2)15-11/h4-8H,3H2,1-2H3,(H2,12,13)
InChIKeyDMTJQXXKHIFSKM-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds2

About 5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine

5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 129188364) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID129188364
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESCCC1(c2ccccc2)N=C(N)N(C)O1
InChIInChI=1S/C11H15N3O/c1-3-11(9-7-5-4-6-8-9)13-10(12)14(2)15-11/h4-8H,3H2,1-2H3,(H2,12,13)
InChIKeyDMTJQXXKHIFSKM-UHFFFAOYSA-N
XLogP1.44
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine (CID 129188364) is 5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine is CCC1(c2ccccc2)N=C(N)N(C)O1.
What is the InChIKey of 5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is DMTJQXXKHIFSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-11(9-7-5-4-6-8-9)13-10(12)14(2)15-11/h4-8H,3H2,1-2H3,(H2,12,13).
What are the key properties of 5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine?
5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 205.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 129188364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).