[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride

C11H14ClN3O — CID 23301773

IUPAC[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride
SMILESCc1noc(Cc2ccc(CN)cc2)n1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-8-13-11(15-14-8)6-9-2-4-10(7-12)5-3-9;/h2-5H,6-7,12H2,1H3;1H
InChIKeyGUPRQOPOFWVAPU-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.85
Rot. Bonds3

About [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride

[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride (PubChem CID 23301773) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride
PubChem CID23301773
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride
SMILESCc1noc(Cc2ccc(CN)cc2)n1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-8-13-11(15-14-8)6-9-2-4-10(7-12)5-3-9;/h2-5H,6-7,12H2,1H3;1H
InChIKeyGUPRQOPOFWVAPU-UHFFFAOYSA-N
XLogP1.85
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride (CID 23301773) is [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride is Cc1noc(Cc2ccc(CN)cc2)n1.Cl.
What is the InChIKey of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride?
The InChIKey is GUPRQOPOFWVAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-8-13-11(15-14-8)6-9-2-4-10(7-12)5-3-9;/h2-5H,6-7,12H2,1H3;1H.
What are the key properties of [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride?
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 23301773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).