(4-bromo-1,3-oxazol-2-yl)methanol

C4H4BrNO2 — CID 67460262

IUPAC(4-bromo-1,3-oxazol-2-yl)methanol
SMILESOCc1nc(Br)co1
InChIInChI=1S/C4H4BrNO2/c5-3-2-8-4(1-7)6-3/h2,7H,1H2
InChIKeySHDSHSFTSRYCSN-UHFFFAOYSA-N
MW177.98 g/mol
LogP0.93
Rot. Bonds1

About (4-bromo-1,3-oxazol-2-yl)methanol

(4-bromo-1,3-oxazol-2-yl)methanol (PubChem CID 67460262) has the molecular formula C4H4BrNO2 and a molecular weight of 177.98 g/mol. Its IUPAC name is (4-bromo-1,3-oxazol-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1,3-oxazol-2-yl)methanol
PubChem CID67460262
Molecular FormulaC4H4BrNO2
Molecular Weight177.98 g/mol
Exact Mass176.94
IUPAC Name(4-bromo-1,3-oxazol-2-yl)methanol
SMILESOCc1nc(Br)co1
InChIInChI=1S/C4H4BrNO2/c5-3-2-8-4(1-7)6-3/h2,7H,1H2
InChIKeySHDSHSFTSRYCSN-UHFFFAOYSA-N
XLogP0.93
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.98
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-oxazol-2-yl)methanol?
The IUPAC name of (4-bromo-1,3-oxazol-2-yl)methanol (CID 67460262) is (4-bromo-1,3-oxazol-2-yl)methanol.
What is the SMILES notation for (4-bromo-1,3-oxazol-2-yl)methanol?
The canonical SMILES for (4-bromo-1,3-oxazol-2-yl)methanol is OCc1nc(Br)co1.
What is the InChIKey of (4-bromo-1,3-oxazol-2-yl)methanol?
The InChIKey is SHDSHSFTSRYCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO2/c5-3-2-8-4(1-7)6-3/h2,7H,1H2.
What are the key properties of (4-bromo-1,3-oxazol-2-yl)methanol?
(4-bromo-1,3-oxazol-2-yl)methanol has a molecular weight of 177.98 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-oxazol-2-yl)methanol is sourced from PubChem (CID 67460262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).