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

C16H23N3O — CID 62857467

IUPAC1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C16H23N3O/c1-5-9-17-14(6-2)16-19-18-15(20-16)13-8-7-11(3)12(4)10-13/h7-8,10,14,17H,5-6,9H2,1-4H3
InChIKeyYCPUQXSJMPTXMD-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.80
Rot. Bonds6

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

1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 62857467) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID62857467
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C16H23N3O/c1-5-9-17-14(6-2)16-19-18-15(20-16)13-8-7-11(3)12(4)10-13/h7-8,10,14,17H,5-6,9H2,1-4H3
InChIKeyYCPUQXSJMPTXMD-UHFFFAOYSA-N
XLogP3.80
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63195353
1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103212040
1-[5-(3-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857793
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
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858269
2-(1-bromopropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 62856515
1-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859130
N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190079
1-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63048632
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55124213
1-[5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858783

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 62857467) is 1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(-c2ccc(C)c(C)c2)o1.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is YCPUQXSJMPTXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-9-17-14(6-2)16-19-18-15(20-16)13-8-7-11(3)12(4)10-13/h7-8,10,14,17H,5-6,9H2,1-4H3.
What are the key properties of 1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62857467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).