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

C12H15BrN4O — CID 113398129

IUPAC1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(-c2ncccc2Br)no1
InChIInChI=1S/C12H15BrN4O/c1-2-3-6-9(14)12-16-11(17-18-12)10-8(13)5-4-7-15-10/h4-5,7,9H,2-3,6,14H2,1H3
InChIKeyOKRAUAPCXDANAS-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.08
Rot. Bonds5

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

1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 113398129) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID113398129
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(-c2ncccc2Br)no1
InChIInChI=1S/C12H15BrN4O/c1-2-3-6-9(14)12-16-11(17-18-12)10-8(13)5-4-7-15-10/h4-5,7,9H,2-3,6,14H2,1H3
InChIKeyOKRAUAPCXDANAS-UHFFFAOYSA-N
XLogP3.08
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915947
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103442618
(1S)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057410
(1S)-1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107915239
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104881068
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63839212
1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115565639
(1S)-2-amino-1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837266
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 55118607
[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 113398135
(1S)-1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145202
(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103832546

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 113398129) is 1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCCC(N)c1nc(-c2ncccc2Br)no1.
What is the InChIKey of 1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is OKRAUAPCXDANAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-2-3-6-9(14)12-16-11(17-18-12)10-8(13)5-4-7-15-10/h4-5,7,9H,2-3,6,14H2,1H3.
What are the key properties of 1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 311.18 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 113398129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).