5-bromo-4-cyclopropyl-1,2-oxazole

C6H6BrNO — CID 84661243

IUPAC5-bromo-4-cyclopropyl-1,2-oxazole
SMILESBrc1oncc1C1CC1
InChIInChI=1S/C6H6BrNO/c7-6-5(3-8-9-6)4-1-2-4/h3-4H,1-2H2
InChIKeyWNASLODDQVQNSL-UHFFFAOYSA-N
MW188.02 g/mol
LogP2.31
Rot. Bonds1

About 5-bromo-4-cyclopropyl-1,2-oxazole

5-bromo-4-cyclopropyl-1,2-oxazole (PubChem CID 84661243) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-1,2-oxazole.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-1,2-oxazole
PubChem CID84661243
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name5-bromo-4-cyclopropyl-1,2-oxazole
SMILESBrc1oncc1C1CC1
InChIInChI=1S/C6H6BrNO/c7-6-5(3-8-9-6)4-1-2-4/h3-4H,1-2H2
InChIKeyWNASLODDQVQNSL-UHFFFAOYSA-N
XLogP2.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopropyl-1,2-oxazole?
The IUPAC name of 5-bromo-4-cyclopropyl-1,2-oxazole (CID 84661243) is 5-bromo-4-cyclopropyl-1,2-oxazole.
What is the SMILES notation for 5-bromo-4-cyclopropyl-1,2-oxazole?
The canonical SMILES for 5-bromo-4-cyclopropyl-1,2-oxazole is Brc1oncc1C1CC1.
What is the InChIKey of 5-bromo-4-cyclopropyl-1,2-oxazole?
The InChIKey is WNASLODDQVQNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c7-6-5(3-8-9-6)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 5-bromo-4-cyclopropyl-1,2-oxazole?
5-bromo-4-cyclopropyl-1,2-oxazole has a molecular weight of 188.02 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopropyl-1,2-oxazole is sourced from PubChem (CID 84661243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).