2-bromo-5-propan-2-yl-1,3-oxazole

C6H8BrNO — CID 105443992

IUPAC2-bromo-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(Br)o1
InChIInChI=1S/C6H8BrNO/c1-4(2)5-3-8-6(7)9-5/h3-4H,1-2H3
InChIKeyKNNNJILZLGNXAQ-UHFFFAOYSA-N
MW190.04 g/mol
LogP2.56
Rot. Bonds1

About 2-bromo-5-propan-2-yl-1,3-oxazole

2-bromo-5-propan-2-yl-1,3-oxazole (PubChem CID 105443992) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 2-bromo-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-propan-2-yl-1,3-oxazole
PubChem CID105443992
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name2-bromo-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(Br)o1
InChIInChI=1S/C6H8BrNO/c1-4(2)5-3-8-6(7)9-5/h3-4H,1-2H3
InChIKeyKNNNJILZLGNXAQ-UHFFFAOYSA-N
XLogP2.56
TPSA26.03 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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-bromo-5-propan-2-yl-1,3-oxazole (CID 105443992) is 2-bromo-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-bromo-5-propan-2-yl-1,3-oxazole is CC(C)c1cnc(Br)o1.
What is the InChIKey of 2-bromo-5-propan-2-yl-1,3-oxazole?
The InChIKey is KNNNJILZLGNXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c1-4(2)5-3-8-6(7)9-5/h3-4H,1-2H3.
What are the key properties of 2-bromo-5-propan-2-yl-1,3-oxazole?
2-bromo-5-propan-2-yl-1,3-oxazole has a molecular weight of 190.04 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 105443992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).