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

C12H15BrN4O — CID 55153256

IUPAC3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1nnc(-c2ccc(Br)cn2)o1
InChIInChI=1S/C12H15BrN4O/c1-2-14-7-3-4-11-16-17-12(18-11)10-6-5-9(13)8-15-10/h5-6,8,14H,2-4,7H2,1H3
InChIKeyFCOLZCILKCRGOC-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.44
Rot. Bonds6

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

3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 55153256) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID55153256
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1nnc(-c2ccc(Br)cn2)o1
InChIInChI=1S/C12H15BrN4O/c1-2-14-7-3-4-11-16-17-12(18-11)10-6-5-9(13)8-15-10/h5-6,8,14H,2-4,7H2,1H3
InChIKeyFCOLZCILKCRGOC-UHFFFAOYSA-N
XLogP2.44
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62960463
N-[2-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62960149
6-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
CID 63748670
3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 107952642
N-ethyl-3-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215589
N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62137262
6-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
CID 63748672
N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62874487
2-[5-(5-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 55043927
3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 82830169
3-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55039217
N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65152299

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 55153256) is 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNCCCc1nnc(-c2ccc(Br)cn2)o1.
What is the InChIKey of 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is FCOLZCILKCRGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-2-14-7-3-4-11-16-17-12(18-11)10-6-5-9(13)8-15-10/h5-6,8,14H,2-4,7H2,1H3.
What are the key properties of 3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 311.18 g/mol, XLogP of 2.44, 6 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]-N-ethylpropan-1-amine is sourced from PubChem (CID 55153256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).