3-bromo-5-(2-methylpropyl)-1,2-oxazole

C7H10BrNO — CID 58970603

IUPAC3-bromo-5-(2-methylpropyl)-1,2-oxazole
SMILESCC(C)Cc1cc(Br)no1
InChIInChI=1S/C7H10BrNO/c1-5(2)3-6-4-7(8)9-10-6/h4-5H,3H2,1-2H3
InChIKeyZAMOINGWRNMCEJ-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.64
Rot. Bonds2

About 3-bromo-5-(2-methylpropyl)-1,2-oxazole

3-bromo-5-(2-methylpropyl)-1,2-oxazole (PubChem CID 58970603) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 3-bromo-5-(2-methylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-(2-methylpropyl)-1,2-oxazole
PubChem CID58970603
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name3-bromo-5-(2-methylpropyl)-1,2-oxazole
SMILESCC(C)Cc1cc(Br)no1
InChIInChI=1S/C7H10BrNO/c1-5(2)3-6-4-7(8)9-10-6/h4-5H,3H2,1-2H3
InChIKeyZAMOINGWRNMCEJ-UHFFFAOYSA-N
XLogP2.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methylpropyl)-1,2-oxazole?
The IUPAC name of 3-bromo-5-(2-methylpropyl)-1,2-oxazole (CID 58970603) is 3-bromo-5-(2-methylpropyl)-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-(2-methylpropyl)-1,2-oxazole?
The canonical SMILES for 3-bromo-5-(2-methylpropyl)-1,2-oxazole is CC(C)Cc1cc(Br)no1.
What is the InChIKey of 3-bromo-5-(2-methylpropyl)-1,2-oxazole?
The InChIKey is ZAMOINGWRNMCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-5(2)3-6-4-7(8)9-10-6/h4-5H,3H2,1-2H3.
What are the key properties of 3-bromo-5-(2-methylpropyl)-1,2-oxazole?
3-bromo-5-(2-methylpropyl)-1,2-oxazole has a molecular weight of 204.07 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-methylpropyl)-1,2-oxazole is sourced from PubChem (CID 58970603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).