3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole

C10H8Br2N2O3 — CID 15169745

IUPAC3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole
SMILESBrc1cc([C@@H]2CC[C@H](c3cc(Br)no3)O2)on1
InChIInChI=1S/C10H8Br2N2O3/c11-9-3-7(16-13-9)5-1-2-6(15-5)8-4-10(12)14-17-8/h3-6H,1-2H2/t5-,6+
InChIKeyAKFAONZIMPLDRD-OLQVQODUSA-N
MW363.99 g/mol
LogP3.78
Rot. Bonds2

About 3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole

3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole (PubChem CID 15169745) has the molecular formula C10H8Br2N2O3 and a molecular weight of 363.99 g/mol. Its IUPAC name is 3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole
PubChem CID15169745
Molecular FormulaC10H8Br2N2O3
Molecular Weight363.99 g/mol
Exact Mass361.89
IUPAC Name3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole
SMILESBrc1cc([C@@H]2CC[C@H](c3cc(Br)no3)O2)on1
InChIInChI=1S/C10H8Br2N2O3/c11-9-3-7(16-13-9)5-1-2-6(15-5)8-4-10(12)14-17-8/h3-6H,1-2H2/t5-,6+
InChIKeyAKFAONZIMPLDRD-OLQVQODUSA-N
XLogP3.78
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.99
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole?
The IUPAC name of 3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole (CID 15169745) is 3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole is Brc1cc([C@@H]2CC[C@H](c3cc(Br)no3)O2)on1.
What is the InChIKey of 3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole?
The InChIKey is AKFAONZIMPLDRD-OLQVQODUSA-N. The full InChI is InChI=1S/C10H8Br2N2O3/c11-9-3-7(16-13-9)5-1-2-6(15-5)8-4-10(12)14-17-8/h3-6H,1-2H2/t5-,6+.
What are the key properties of 3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole?
3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole has a molecular weight of 363.99 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole is sourced from PubChem (CID 15169745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).