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

C12H16ClN3O — CID 54594395

IUPACphenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCCCc1nc(C(N)c2ccccc2)no1.Cl
InChIInChI=1S/C12H15N3O.ClH/c1-2-6-10-14-12(15-16-10)11(13)9-7-4-3-5-8-9;/h3-5,7-8,11H,2,6,13H2,1H3;1H
InChIKeyKAVJINFMXYANMI-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.49
Rot. Bonds4

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

phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 54594395) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Namephenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID54594395
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Namephenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCCCc1nc(C(N)c2ccccc2)no1.Cl
InChIInChI=1S/C12H15N3O.ClH/c1-2-6-10-14-12(15-16-10)11(13)9-7-4-3-5-8-9;/h3-5,7-8,11H,2,6,13H2,1H3;1H
InChIKeyKAVJINFMXYANMI-UHFFFAOYSA-N
XLogP2.49
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43753558
(4-cyclopropylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 79980476
(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106531793
(2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 114064742
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine
CID 62880091
(7-chloro-1,3-benzodioxol-5-yl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559561
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79613895
(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 63632238
(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 43559370
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine
CID 167866704

Frequently Asked Questions

What is the IUPAC name of phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (CID 54594395) is phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is CCCc1nc(C(N)c2ccccc2)no1.Cl.
What is the InChIKey of phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is KAVJINFMXYANMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/c1-2-6-10-14-12(15-16-10)11(13)9-7-4-3-5-8-9;/h3-5,7-8,11H,2,6,13H2,1H3;1H.
What are the key properties of phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 54594395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).