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

C6H8BrNO — CID 105443990

IUPAC3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole
SMILESBrC1=NOC(C2CC2)C1
InChIInChI=1S/C6H8BrNO/c7-6-3-5(9-8-6)4-1-2-4/h4-5H,1-3H2
InChIKeyQIODDYXBLVNVSD-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.89
Rot. Bonds1

About 3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole

3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole (PubChem CID 105443990) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole
PubChem CID105443990
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole
SMILESBrC1=NOC(C2CC2)C1
InChIInChI=1S/C6H8BrNO/c7-6-3-5(9-8-6)4-1-2-4/h4-5H,1-3H2
InChIKeyQIODDYXBLVNVSD-UHFFFAOYSA-N
XLogP1.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Bromomethyl)-3-cyclopropyl-4,5-dihydro-1,2-oxazole
CID 137935959
3-Bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 105445620
(5R)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 163393535
(5S)-3-bromo-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 163393570
3-Bromo-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
CID 105458315
4-Bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 143194189

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole (CID 105443990) is 3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole is BrC1=NOC(C2CC2)C1.
What is the InChIKey of 3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole?
The InChIKey is QIODDYXBLVNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c7-6-3-5(9-8-6)4-1-2-4/h4-5H,1-3H2.
What are the key properties of 3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole?
3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole has a molecular weight of 190.04 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 105443990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).