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

C10H11BrN4O — CID 62960463

IUPAC3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(-c2ccc(Br)cn2)o1
InChIInChI=1S/C10H11BrN4O/c11-7-3-4-8(13-6-7)10-15-14-9(16-10)2-1-5-12/h3-4,6H,1-2,5,12H2
InChIKeyHBBATYIHWMBDEX-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.79
Rot. Bonds4

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

3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62960463) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62960463
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(-c2ccc(Br)cn2)o1
InChIInChI=1S/C10H11BrN4O/c11-7-3-4-8(13-6-7)10-15-14-9(16-10)2-1-5-12/h3-4,6H,1-2,5,12H2
InChIKeyHBBATYIHWMBDEX-UHFFFAOYSA-N
XLogP1.79
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55153256
N-[2-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62960149
3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 107952621
2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 62958955
3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 64955725
2-[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 114375433
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62277864
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
CID 62071460
6-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
CID 63748672
3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 105064429

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62960463) is 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is NCCCc1nnc(-c2ccc(Br)cn2)o1.
What is the InChIKey of 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is HBBATYIHWMBDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c11-7-3-4-8(13-6-7)10-15-14-9(16-10)2-1-5-12/h3-4,6H,1-2,5,12H2.
What are the key properties of 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 283.13 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62960463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).