1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C11H13N3O — CID 10375609

IUPAC1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1cccc(-c2nc(C(C)N)no2)c1
InChIInChI=1S/C11H13N3O/c1-7-4-3-5-9(6-7)11-13-10(8(2)12)14-15-11/h3-6,8H,12H2,1-2H3
InChIKeyFMSGBDLRGHGMPH-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.06
Rot. Bonds2

About 1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 10375609) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID10375609
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1cccc(-c2nc(C(C)N)no2)c1
InChIInChI=1S/C11H13N3O/c1-7-4-3-5-9(6-7)11-13-10(8(2)12)14-15-11/h3-6,8H,12H2,1-2H3
InChIKeyFMSGBDLRGHGMPH-UHFFFAOYSA-N
XLogP2.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 10375609) is 1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is Cc1cccc(-c2nc(C(C)N)no2)c1.
What is the InChIKey of 1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is FMSGBDLRGHGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-4-3-5-9(6-7)11-13-10(8(2)12)14-15-11/h3-6,8H,12H2,1-2H3.
What are the key properties of 1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 203.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 10375609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).