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

C11H14ClN3O — CID 71692410

IUPAC1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
SMILESCc1cccc(-c2nnc(C(C)N)o2)c1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-7-4-3-5-9(6-7)11-14-13-10(15-11)8(2)12;/h3-6,8H,12H2,1-2H3;1H
InChIKeyHAAVMFUPJMTQIO-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.49
Rot. Bonds2

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

1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride (PubChem CID 71692410) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
PubChem CID71692410
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
SMILESCc1cccc(-c2nnc(C(C)N)o2)c1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-7-4-3-5-9(6-7)11-14-13-10(15-11)8(2)12;/h3-6,8H,12H2,1-2H3;1H
InChIKeyHAAVMFUPJMTQIO-UHFFFAOYSA-N
XLogP2.49
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.49
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)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride (CID 71692410) is 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride is Cc1cccc(-c2nnc(C(C)N)o2)c1.Cl.
What is the InChIKey of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is HAAVMFUPJMTQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-7-4-3-5-9(6-7)11-14-13-10(15-11)8(2)12;/h3-6,8H,12H2,1-2H3;1H.
What are the key properties of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride?
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 2.49, 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)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 71692410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).