4-bromo-2-methyl-1,3-oxazole

C4H4BrNO — CID 23052571

IUPAC4-bromo-2-methyl-1,3-oxazole
SMILESCc1nc(Br)co1
InChIInChI=1S/C4H4BrNO/c1-3-6-4(5)2-7-3/h2H,1H3
InChIKeyKBTACCRQDCKTJZ-UHFFFAOYSA-N
MW161.99 g/mol
LogP1.75
Rot. Bonds

About 4-bromo-2-methyl-1,3-oxazole

4-bromo-2-methyl-1,3-oxazole (PubChem CID 23052571) has the molecular formula C4H4BrNO and a molecular weight of 161.99 g/mol. Its IUPAC name is 4-bromo-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-methyl-1,3-oxazole
PubChem CID23052571
Molecular FormulaC4H4BrNO
Molecular Weight161.99 g/mol
Exact Mass160.95
IUPAC Name4-bromo-2-methyl-1,3-oxazole
SMILESCc1nc(Br)co1
InChIInChI=1S/C4H4BrNO/c1-3-6-4(5)2-7-3/h2H,1H3
InChIKeyKBTACCRQDCKTJZ-UHFFFAOYSA-N
XLogP1.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.99
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1,3-oxazole?
The IUPAC name of 4-bromo-2-methyl-1,3-oxazole (CID 23052571) is 4-bromo-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-methyl-1,3-oxazole?
The canonical SMILES for 4-bromo-2-methyl-1,3-oxazole is Cc1nc(Br)co1.
What is the InChIKey of 4-bromo-2-methyl-1,3-oxazole?
The InChIKey is KBTACCRQDCKTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO/c1-3-6-4(5)2-7-3/h2H,1H3.
What are the key properties of 4-bromo-2-methyl-1,3-oxazole?
4-bromo-2-methyl-1,3-oxazole has a molecular weight of 161.99 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-1,3-oxazole is sourced from PubChem (CID 23052571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).