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

C14H17Br2N3O — CID 107981062

IUPAC1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C14H17Br2N3O/c1-3-5-17-12(4-2)14-19-18-13(20-14)9-6-10(15)8-11(16)7-9/h6-8,12,17H,3-5H2,1-2H3
InChIKeySXDBZDQPXPKXEZ-UHFFFAOYSA-N
MW403.12 g/mol
LogP4.71
Rot. Bonds6

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

1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 107981062) has the molecular formula C14H17Br2N3O and a molecular weight of 403.12 g/mol. Its IUPAC name is 1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID107981062
Molecular FormulaC14H17Br2N3O
Molecular Weight403.12 g/mol
Exact Mass400.97
IUPAC Name1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(-c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C14H17Br2N3O/c1-3-5-17-12(4-2)14-19-18-13(20-14)9-6-10(15)8-11(16)7-9/h6-8,12,17H,3-5H2,1-2H3
InChIKeySXDBZDQPXPKXEZ-UHFFFAOYSA-N
XLogP4.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.12
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 107981062) is 1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(-c2cc(Br)cc(Br)c2)o1.
What is the InChIKey of 1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is SXDBZDQPXPKXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3O/c1-3-5-17-12(4-2)14-19-18-13(20-14)9-6-10(15)8-11(16)7-9/h6-8,12,17H,3-5H2,1-2H3.
What are the key properties of 1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 403.12 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 107981062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).