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

C14H18ClN3O2 — CID 75484037

IUPAC3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
SMILESCc1ccccc1Cc1nc(C2COCCN2)no1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10-4-2-3-5-11(10)8-13-16-14(17-19-13)12-9-18-7-6-15-12;/h2-5,12,15H,6-9H2,1H3;1H
InChIKeyZLDVBALBFQLLGS-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.05
Rot. Bonds3

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

3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride (PubChem CID 75484037) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
PubChem CID75484037
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
SMILESCc1ccccc1Cc1nc(C2COCCN2)no1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10-4-2-3-5-11(10)8-13-16-14(17-19-13)12-9-18-7-6-15-12;/h2-5,12,15H,6-9H2,1H3;1H
InChIKeyZLDVBALBFQLLGS-UHFFFAOYSA-N
XLogP2.05
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride?
The IUPAC name of 3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride (CID 75484037) is 3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride.
What is the SMILES notation for 3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride?
The canonical SMILES for 3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride is Cc1ccccc1Cc1nc(C2COCCN2)no1.Cl.
What is the InChIKey of 3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride?
The InChIKey is ZLDVBALBFQLLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-10-4-2-3-5-11(10)8-13-16-14(17-19-13)12-9-18-7-6-15-12;/h2-5,12,15H,6-9H2,1H3;1H.
What are the key properties of 3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride?
3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride is sourced from PubChem (CID 75484037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).