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

C14H19N3O — CID 62858085

IUPAC1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1nnc(-c2cc(C)cc(C)c2)o1
InChIInChI=1S/C14H19N3O/c1-5-12(15-4)14-17-16-13(18-14)11-7-9(2)6-10(3)8-11/h6-8,12,15H,5H2,1-4H3
InChIKeyCUXIBOGEDJFAGG-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.02
Rot. Bonds4

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

1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 62858085) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
PubChem CID62858085
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1nnc(-c2cc(C)cc(C)c2)o1
InChIInChI=1S/C14H19N3O/c1-5-12(15-4)14-17-16-13(18-14)11-7-9(2)6-10(3)8-11/h6-8,12,15H,5H2,1-4H3
InChIKeyCUXIBOGEDJFAGG-UHFFFAOYSA-N
XLogP3.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190034
1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55124209
1-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62857445
1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163232
1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 114028151
N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63080882
N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65216143
N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190079
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859615
N-ethyl-1-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 114822856
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857122

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (CID 62858085) is 1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is CCC(NC)c1nnc(-c2cc(C)cc(C)c2)o1.
What is the InChIKey of 1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is CUXIBOGEDJFAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-12(15-4)14-17-16-13(18-14)11-7-9(2)6-10(3)8-11/h6-8,12,15H,5H2,1-4H3.
What are the key properties of 1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 62858085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).