(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride

C10H12ClN3O — CID 22592441

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
SMILESCc1noc(C(N)c2ccccc2)n1.Cl
InChIInChI=1S/C10H11N3O.ClH/c1-7-12-10(14-13-7)9(11)8-5-3-2-4-6-8;/h2-6,9H,11H2,1H3;1H
InChIKeyLKQJWHSDPZPIIL-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.85
Rot. Bonds2

About (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride

(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride (PubChem CID 22592441) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
PubChem CID22592441
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
SMILESCc1noc(C(N)c2ccccc2)n1.Cl
InChIInChI=1S/C10H11N3O.ClH/c1-7-12-10(14-13-7)9(11)8-5-3-2-4-6-8;/h2-6,9H,11H2,1H3;1H
InChIKeyLKQJWHSDPZPIIL-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride (CID 22592441) is (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride is Cc1noc(C(N)c2ccccc2)n1.Cl.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride?
The InChIKey is LKQJWHSDPZPIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.ClH/c1-7-12-10(14-13-7)9(11)8-5-3-2-4-6-8;/h2-6,9H,11H2,1H3;1H.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride?
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride is sourced from PubChem (CID 22592441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).