4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol

C11H12BrNO2 — CID 162401936

IUPAC4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol
SMILESCCC1(O)NC(c2ccc(Br)cc2)=CO1
InChIInChI=1S/C11H12BrNO2/c1-2-11(14)13-10(7-15-11)8-3-5-9(12)6-4-8/h3-7,13-14H,2H2,1H3
InChIKeyGMJWEDJUSGICOI-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.42
Rot. Bonds2

About 4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol

4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol (PubChem CID 162401936) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol
PubChem CID162401936
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol
SMILESCCC1(O)NC(c2ccc(Br)cc2)=CO1
InChIInChI=1S/C11H12BrNO2/c1-2-11(14)13-10(7-15-11)8-3-5-9(12)6-4-8/h3-7,13-14H,2H2,1H3
InChIKeyGMJWEDJUSGICOI-UHFFFAOYSA-N
XLogP2.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol?
The IUPAC name of 4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol (CID 162401936) is 4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol.
What is the SMILES notation for 4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol?
The canonical SMILES for 4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol is CCC1(O)NC(c2ccc(Br)cc2)=CO1.
What is the InChIKey of 4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol?
The InChIKey is GMJWEDJUSGICOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-2-11(14)13-10(7-15-11)8-3-5-9(12)6-4-8/h3-7,13-14H,2H2,1H3.
What are the key properties of 4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol?
4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol has a molecular weight of 270.13 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-ethyl-3H-1,3-oxazol-2-ol is sourced from PubChem (CID 162401936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).