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

C7H10BrNO — CID 143194189

IUPAC4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C2CC2)C1Br
InChIInChI=1S/C7H10BrNO/c1-4-6(8)7(10-9-4)5-2-3-5/h5-7H,2-3H2,1H3
InChIKeyXXVKJZTYCLZHJC-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.93
Rot. Bonds1

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

4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 143194189) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID143194189
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C2CC2)C1Br
InChIInChI=1S/C7H10BrNO/c1-4-6(8)7(10-9-4)5-2-3-5/h5-7H,2-3H2,1H3
InChIKeyXXVKJZTYCLZHJC-UHFFFAOYSA-N
XLogP1.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(Bromomethyl)-3-cyclopropyl-4,5-dihydro-1,2-oxazole
CID 137935959
5-Cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 142566266
3-Bromo-5-cyclopropyl-4,5-dihydro-1,2-oxazole
CID 105443990

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole (CID 143194189) is 4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOC(C2CC2)C1Br.
What is the InChIKey of 4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is XXVKJZTYCLZHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-4-6(8)7(10-9-4)5-2-3-5/h5-7H,2-3H2,1H3.
What are the key properties of 4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole?
4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 204.07 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143194189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).