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

C10H11Cl2N3O — CID 71757932

IUPAC(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCc1nc(C(N)c2ccc(Cl)cc2)no1.Cl
InChIInChI=1S/C10H10ClN3O.ClH/c1-6-13-10(14-15-6)9(12)7-2-4-8(11)5-3-7;/h2-5,9H,12H2,1H3;1H
InChIKeyQGCBLTQPAZVVTL-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.50
Rot. Bonds2

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

(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 71757932) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID71757932
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCc1nc(C(N)c2ccc(Cl)cc2)no1.Cl
InChIInChI=1S/C10H10ClN3O.ClH/c1-6-13-10(14-15-6)9(12)7-2-4-8(11)5-3-7;/h2-5,9H,12H2,1H3;1H
InChIKeyQGCBLTQPAZVVTL-UHFFFAOYSA-N
XLogP2.50
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (CID 71757932) is (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is Cc1nc(C(N)c2ccc(Cl)cc2)no1.Cl.
What is the InChIKey of (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is QGCBLTQPAZVVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O.ClH/c1-6-13-10(14-15-6)9(12)7-2-4-8(11)5-3-7;/h2-5,9H,12H2,1H3;1H.
What are the key properties of (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 260.12 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 71757932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).