3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole

C11H16BrNO — CID 146082572

IUPAC3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole
SMILESCC(C)Cc1c(CBr)noc1C1CC1
InChIInChI=1S/C11H16BrNO/c1-7(2)5-9-10(6-12)13-14-11(9)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyDSQVSRTZIHXBGZ-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.65
Rot. Bonds4

About 3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole

3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole (PubChem CID 146082572) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole
PubChem CID146082572
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole
SMILESCC(C)Cc1c(CBr)noc1C1CC1
InChIInChI=1S/C11H16BrNO/c1-7(2)5-9-10(6-12)13-14-11(9)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyDSQVSRTZIHXBGZ-UHFFFAOYSA-N
XLogP3.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole?
The IUPAC name of 3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole (CID 146082572) is 3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole.
What is the SMILES notation for 3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole?
The canonical SMILES for 3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole is CC(C)Cc1c(CBr)noc1C1CC1.
What is the InChIKey of 3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole?
The InChIKey is DSQVSRTZIHXBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7(2)5-9-10(6-12)13-14-11(9)8-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole?
3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole has a molecular weight of 258.16 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-cyclopropyl-4-(2-methylpropyl)-1,2-oxazole is sourced from PubChem (CID 146082572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).