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

C11H11BrN4O — CID 113398135

IUPAC[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
SMILESNC(c1nc(-c2ncccc2Br)no1)C1CC1
InChIInChI=1S/C11H11BrN4O/c12-7-2-1-5-14-9(7)10-15-11(17-16-10)8(13)6-3-4-6/h1-2,5-6,8H,3-4,13H2
InChIKeyVAXWKSAHVNQUDC-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.30
Rot. Bonds3

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

[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine (PubChem CID 113398135) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is [3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
PubChem CID113398135
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
SMILESNC(c1nc(-c2ncccc2Br)no1)C1CC1
InChIInChI=1S/C11H11BrN4O/c12-7-2-1-5-14-9(7)10-15-11(17-16-10)8(13)6-3-4-6/h1-2,5-6,8H,3-4,13H2
InChIKeyVAXWKSAHVNQUDC-UHFFFAOYSA-N
XLogP2.30
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 62696512
(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915947
(1S)-2-amino-1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837266
cyclohexyl-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 54901636
(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine
CID 107315622
1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113398129
[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 82809079
[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-cyclohexylmethanamine
CID 61017069
[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 114329286
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474675
[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 107537138
5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazol-3-amine
CID 65416408

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine?
The IUPAC name of [3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine (CID 113398135) is [3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine.
What is the SMILES notation for [3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine?
The canonical SMILES for [3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine is NC(c1nc(-c2ncccc2Br)no1)C1CC1.
What is the InChIKey of [3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine?
The InChIKey is VAXWKSAHVNQUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-7-2-1-5-14-9(7)10-15-11(17-16-10)8(13)6-3-4-6/h1-2,5-6,8H,3-4,13H2.
What are the key properties of [3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine?
[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine has a molecular weight of 295.14 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine is sourced from PubChem (CID 113398135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).