N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C17H25N3O — CID 62857122

IUPACN-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNC(CC)c1nnc(-c2c(C)cc(C)cc2C)o1
InChIInChI=1S/C17H25N3O/c1-6-8-18-14(7-2)16-19-20-17(21-16)15-12(4)9-11(3)10-13(15)5/h9-10,14,18H,6-8H2,1-5H3
InChIKeyHRYYDGVBZGBVOX-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.11
Rot. Bonds6

About N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62857122) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62857122
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNC(CC)c1nnc(-c2c(C)cc(C)cc2C)o1
InChIInChI=1S/C17H25N3O/c1-6-8-18-14(7-2)16-19-20-17(21-16)15-12(4)9-11(3)10-13(15)5/h9-10,14,18H,6-8H2,1-5H3
InChIKeyHRYYDGVBZGBVOX-UHFFFAOYSA-N
XLogP4.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467
1-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63048632
1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63195353
1-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 106863647
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190079
1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 104672369
1-[5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858783
1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 65199096
1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859470
1-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859130
1-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858121

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62857122) is N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCCNC(CC)c1nnc(-c2c(C)cc(C)cc2C)o1.
What is the InChIKey of N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is HRYYDGVBZGBVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-8-18-14(7-2)16-19-20-17(21-16)15-12(4)9-11(3)10-13(15)5/h9-10,14,18H,6-8H2,1-5H3.
What are the key properties of N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62857122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).