(3-bromo-4-methyl-1,2-oxazol-5-yl)methanol

C5H6BrNO2 — CID 10899459

IUPAC(3-bromo-4-methyl-1,2-oxazol-5-yl)methanol
SMILESCc1c(Br)noc1CO
InChIInChI=1S/C5H6BrNO2/c1-3-4(2-8)9-7-5(3)6/h8H,2H2,1H3
InChIKeyPOZVBJFROOUGKZ-UHFFFAOYSA-N
MW192.01 g/mol
LogP1.24
Rot. Bonds1

About (3-bromo-4-methyl-1,2-oxazol-5-yl)methanol

(3-bromo-4-methyl-1,2-oxazol-5-yl)methanol (PubChem CID 10899459) has the molecular formula C5H6BrNO2 and a molecular weight of 192.01 g/mol. Its IUPAC name is (3-bromo-4-methyl-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methyl-1,2-oxazol-5-yl)methanol
PubChem CID10899459
Molecular FormulaC5H6BrNO2
Molecular Weight192.01 g/mol
Exact Mass190.96
IUPAC Name(3-bromo-4-methyl-1,2-oxazol-5-yl)methanol
SMILESCc1c(Br)noc1CO
InChIInChI=1S/C5H6BrNO2/c1-3-4(2-8)9-7-5(3)6/h8H,2H2,1H3
InChIKeyPOZVBJFROOUGKZ-UHFFFAOYSA-N
XLogP1.24
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.01
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methyl-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-bromo-4-methyl-1,2-oxazol-5-yl)methanol (CID 10899459) is (3-bromo-4-methyl-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-bromo-4-methyl-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-bromo-4-methyl-1,2-oxazol-5-yl)methanol is Cc1c(Br)noc1CO.
What is the InChIKey of (3-bromo-4-methyl-1,2-oxazol-5-yl)methanol?
The InChIKey is POZVBJFROOUGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO2/c1-3-4(2-8)9-7-5(3)6/h8H,2H2,1H3.
What are the key properties of (3-bromo-4-methyl-1,2-oxazol-5-yl)methanol?
(3-bromo-4-methyl-1,2-oxazol-5-yl)methanol has a molecular weight of 192.01 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methyl-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 10899459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).