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

C10H12ClN3O2 — CID 52988201

IUPAC[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride
SMILESCOc1cccc(-c2nnc(CN)o2)c1.Cl
InChIInChI=1S/C10H11N3O2.ClH/c1-14-8-4-2-3-7(5-8)10-13-12-9(6-11)15-10;/h2-5H,6,11H2,1H3;1H
InChIKeyOCIMKNBMXCYQSM-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.63
Rot. Bonds3

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

[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride (PubChem CID 52988201) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride
PubChem CID52988201
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride
SMILESCOc1cccc(-c2nnc(CN)o2)c1.Cl
InChIInChI=1S/C10H11N3O2.ClH/c1-14-8-4-2-3-7(5-8)10-13-12-9(6-11)15-10;/h2-5H,6,11H2,1H3;1H
InChIKeyOCIMKNBMXCYQSM-UHFFFAOYSA-N
XLogP1.63
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride (CID 52988201) is [5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride is COc1cccc(-c2nnc(CN)o2)c1.Cl.
What is the InChIKey of [5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride?
The InChIKey is OCIMKNBMXCYQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.ClH/c1-14-8-4-2-3-7(5-8)10-13-12-9(6-11)15-10;/h2-5H,6,11H2,1H3;1H.
What are the key properties of [5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride?
[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride has a molecular weight of 241.68 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 52988201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).