3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole

C10H9BrFN3O2 — CID 120842152

IUPAC3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESF[C@@H]1CN[C@@H](c2nc(-c3ccc(Br)o3)no2)C1
InChIInChI=1S/C10H9BrFN3O2/c11-8-2-1-7(16-8)9-14-10(17-15-9)6-3-5(12)4-13-6/h1-2,5-6,13H,3-4H2/t5-,6+/m0/s1
InChIKeyZXMFEUAJVNNFBY-NTSWFWBYSA-N
MW302.10 g/mol
LogP2.46
Rot. Bonds2

About 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole

3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 120842152) has the molecular formula C10H9BrFN3O2 and a molecular weight of 302.10 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID120842152
Molecular FormulaC10H9BrFN3O2
Molecular Weight302.10 g/mol
Exact Mass300.99
IUPAC Name3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESF[C@@H]1CN[C@@H](c2nc(-c3ccc(Br)o3)no2)C1
InChIInChI=1S/C10H9BrFN3O2/c11-8-2-1-7(16-8)9-14-10(17-15-9)6-3-5(12)4-13-6/h1-2,5-6,13H,3-4H2/t5-,6+/m0/s1
InChIKeyZXMFEUAJVNNFBY-NTSWFWBYSA-N
XLogP2.46
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.10
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 129493220
5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121199950
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493088
5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 129493089
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 120835468
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525
3-cyclopropyl-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69197928
(3R,5S)-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911113
3-(5-bromofuran-2-yl)-5-(1-cyclohexylazetidin-3-yl)-1,2,4-oxadiazole
CID 136548166
3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
CID 71980978
(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 51136219
3-(2-bromo-5-fluorophenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 107923521

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole (CID 120842152) is 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole is F[C@@H]1CN[C@@H](c2nc(-c3ccc(Br)o3)no2)C1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is ZXMFEUAJVNNFBY-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H9BrFN3O2/c11-8-2-1-7(16-8)9-14-10(17-15-9)6-3-5(12)4-13-6/h1-2,5-6,13H,3-4H2/t5-,6+/m0/s1.
What are the key properties of 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 302.10 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 120842152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).