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

C13H17BrN4O — CID 55124213

IUPAC1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C13H17BrN4O/c1-3-5-16-11(4-2)13-18-17-12(19-13)9-6-10(14)8-15-7-9/h6-8,11,16H,3-5H2,1-2H3
InChIKeyPRUCPPFTAIGOAX-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.34
Rot. Bonds6

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

1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 55124213) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID55124213
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C13H17BrN4O/c1-3-5-16-11(4-2)13-18-17-12(19-13)9-6-10(14)8-15-7-9/h6-8,11,16H,3-5H2,1-2H3
InChIKeyPRUCPPFTAIGOAX-UHFFFAOYSA-N
XLogP3.34
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858787
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467
N-propyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190079
1-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859130
1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63195353
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163737
1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103212040
1-[5-(5-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857466
1-[5-(3-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857793
1-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 106863647
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-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 55124213) is 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(-c2cncc(Br)c2)o1.
What is the InChIKey of 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is PRUCPPFTAIGOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-3-5-16-11(4-2)13-18-17-12(19-13)9-6-10(14)8-15-7-9/h6-8,11,16H,3-5H2,1-2H3.
What are the key properties of 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 325.21 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 55124213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).