2-bromo-1,3-oxazole

C3H2BrNO — CID 14931772

IUPAC2-bromo-1,3-oxazole
SMILESBrc1ncco1
InChIInChI=1S/C3H2BrNO/c4-3-5-1-2-6-3/h1-2H
InChIKeyYCHPNSOKVRTPES-UHFFFAOYSA-N
MW147.96 g/mol
LogP1.44
Rot. Bonds

About 2-bromo-1,3-oxazole

2-bromo-1,3-oxazole (PubChem CID 14931772) has the molecular formula C3H2BrNO and a molecular weight of 147.96 g/mol. Its IUPAC name is 2-bromo-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-1,3-oxazole
PubChem CID14931772
Molecular FormulaC3H2BrNO
Molecular Weight147.96 g/mol
Exact Mass146.93
IUPAC Name2-bromo-1,3-oxazole
SMILESBrc1ncco1
InChIInChI=1S/C3H2BrNO/c4-3-5-1-2-6-3/h1-2H
InChIKeyYCHPNSOKVRTPES-UHFFFAOYSA-N
XLogP1.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.96
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-oxazole?
The IUPAC name of 2-bromo-1,3-oxazole (CID 14931772) is 2-bromo-1,3-oxazole.
What is the SMILES notation for 2-bromo-1,3-oxazole?
The canonical SMILES for 2-bromo-1,3-oxazole is Brc1ncco1.
What is the InChIKey of 2-bromo-1,3-oxazole?
The InChIKey is YCHPNSOKVRTPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrNO/c4-3-5-1-2-6-3/h1-2H.
What are the key properties of 2-bromo-1,3-oxazole?
2-bromo-1,3-oxazole has a molecular weight of 147.96 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-oxazole is sourced from PubChem (CID 14931772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).