1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride

C10H12ClN3O — CID 71692408

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1nnc(-c2ccccc2)o1.Cl
InChIInChI=1S/C10H11N3O.ClH/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8;/h2-7H,11H2,1H3;1H
InChIKeyMPSNKBIQPBHLBW-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.18
Rot. Bonds2

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride

1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride (PubChem CID 71692408) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
PubChem CID71692408
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1nnc(-c2ccccc2)o1.Cl
InChIInChI=1S/C10H11N3O.ClH/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8;/h2-7H,11H2,1H3;1H
InChIKeyMPSNKBIQPBHLBW-UHFFFAOYSA-N
XLogP2.18
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride (CID 71692408) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride is CC(N)c1nnc(-c2ccccc2)o1.Cl.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is MPSNKBIQPBHLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.ClH/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8;/h2-7H,11H2,1H3;1H.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71692408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).