4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole

C8H10BrNO — CID 59739617

IUPAC4-(bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole
SMILESCC1=C(C(=NO1)C2CC2)CBr
InChIInChI=1S/C8H10BrNO/c1-5-7(4-9)8(10-11-5)6-2-3-6/h6H,2-4H2,1H3
InChIKeyWOANQXGRYINFQE-UHFFFAOYSA-N
MW216.07 g/mol
LogP1.90
Rot. Bonds2

About 4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole

4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole (PubChem CID 59739617) has the molecular formula C8H10BrNO and a molecular weight of 216.07 g/mol. Its IUPAC name is 4-(bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole
PubChem CID59739617
Molecular FormulaC8H10BrNO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name4-(bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole
SMILESCC1=C(C(=NO1)C2CC2)CBr
InChIInChI=1S/C8H10BrNO/c1-5-7(4-9)8(10-11-5)6-2-3-6/h6H,2-4H2,1H3
InChIKeyWOANQXGRYINFQE-UHFFFAOYSA-N
XLogP1.90
TPSA26.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity149

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 51.90
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

Cyclooct[d]isoxazole, 4,5,8,9-tetrahydro-3-methyl-
CID 4393047
4-(Bromomethyl)-3,5-dimethyl-1,2-oxazole
CID 12793289
4-(Bromomethyl)-5-cyclopropyl-3-methyl-1,2-oxazole
CID 59739541
3-Cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde
CID 59739607
5-(Bromomethyl)-3-cyclopropyl-1,2-oxazole
CID 64159420
3-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 304261
5-(Bromomethyl)-3-(2-methylpropyl)-1,2-oxazole
CID 64160088
3-(Bromomethyl)-5-cyclopropyl-4-methyl-1,2-oxazole
CID 80463369
3-(Bromomethyl)-5-ethyl-4-methyl-1,2-oxazole
CID 80463425
3-(Chloromethyl)-5-cyclopropyl-4-methyl-1,2-oxazole
CID 80463498
3-(Bromomethyl)-4-ethyl-5-propyl-1,2-oxazole
CID 80463556
3-(Bromomethyl)-5-cyclopropyl-4-ethyl-1,2-oxazole
CID 130512590

Frequently Asked Questions

What is the IUPAC name of 4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole?
The IUPAC name of 4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole (CID 59739617) is 4-(bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole?
The canonical SMILES for 4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole is CC1=C(C(=NO1)C2CC2)CBr.
What is the InChIKey of 4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole?
The InChIKey is WOANQXGRYINFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-7(4-9)8(10-11-5)6-2-3-6/h6H,2-4H2,1H3.
What are the key properties of 4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole?
4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole has a molecular weight of 216.07 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole is sourced from PubChem (CID 59739617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).