3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

C14H19N3O — CID 55039266

IUPAC3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nnc(-c2ccc(C)cc2C)o1
InChIInChI=1S/C14H19N3O/c1-10-6-7-12(11(2)9-10)14-17-16-13(18-14)5-4-8-15-3/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyQHVIFMVOMHKRGQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.51
Rot. Bonds5

About 3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 55039266) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
PubChem CID55039266
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nnc(-c2ccc(C)cc2C)o1
InChIInChI=1S/C14H19N3O/c1-10-6-7-12(11(2)9-10)14-17-16-13(18-14)5-4-8-15-3/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyQHVIFMVOMHKRGQ-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163779
3-[5-(5-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 65309448
N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138338
3-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039360
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54928865
2-(3-chloropropyl)-5-(2,5-dimethylphenyl)-1,3,4-oxadiazole
CID 43513368
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 104672324
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
3-[5-(4-bromo-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 113396982
N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 106863632
N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62139085
3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136899

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (CID 55039266) is 3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is CNCCCc1nnc(-c2ccc(C)cc2C)o1.
What is the InChIKey of 3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is QHVIFMVOMHKRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-6-7-12(11(2)9-10)14-17-16-13(18-14)5-4-8-15-3/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of 3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 55039266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).