3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid

C13H12BrN3O3 — CID 103552103

IUPAC3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(-c3cncc(Br)c3)no2)C1
InChIInChI=1S/C13H12BrN3O3/c14-10-4-9(5-15-6-10)11-16-12(20-17-11)7-1-2-8(3-7)13(18)19/h4-8H,1-3H2,(H,18,19)
InChIKeyXBBIHWSILSWOGC-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.86
Rot. Bonds3

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

3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (PubChem CID 103552103) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
PubChem CID103552103
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Name3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(-c3cncc(Br)c3)no2)C1
InChIInChI=1S/C13H12BrN3O3/c14-10-4-9(5-15-6-10)11-16-12(20-17-11)7-1-2-8(3-7)13(18)19/h4-8H,1-3H2,(H,18,19)
InChIKeyXBBIHWSILSWOGC-UHFFFAOYSA-N
XLogP2.86
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552019
3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole
CID 136531195
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552121
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 103552158
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 107925281
3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 103500622
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552004
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119947825
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979784
cis-(1R,3S)-3-[3-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 155266234
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552070
N-[4-[5-[(3S)-1-(5-bromopyridine-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897480

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid (CID 103552103) is 3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2nc(-c3cncc(Br)c3)no2)C1.
What is the InChIKey of 3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
The InChIKey is XBBIHWSILSWOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c14-10-4-9(5-15-6-10)11-16-12(20-17-11)7-1-2-8(3-7)13(18)19/h4-8H,1-3H2,(H,18,19).
What are the key properties of 3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid?
3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid has a molecular weight of 338.16 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103552103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).