4-bromo-3-phenyl-2H-1,2-oxazol-5-one

C9H6BrNO2 — CID 3824510

IUPAC4-bromo-3-phenyl-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(-c2ccccc2)c1Br
InChIInChI=1S/C9H6BrNO2/c10-7-8(11-13-9(7)12)6-4-2-1-3-5-6/h1-5,11H
InChIKeySRKUHDZKIGCCQB-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.40
Rot. Bonds1

About 4-bromo-3-phenyl-2H-1,2-oxazol-5-one

4-bromo-3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 3824510) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 4-bromo-3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-bromo-3-phenyl-2H-1,2-oxazol-5-one
PubChem CID3824510
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name4-bromo-3-phenyl-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(-c2ccccc2)c1Br
InChIInChI=1S/C9H6BrNO2/c10-7-8(11-13-9(7)12)6-4-2-1-3-5-6/h1-5,11H
InChIKeySRKUHDZKIGCCQB-UHFFFAOYSA-N
XLogP2.40
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-bromo-3-phenyl-2H-1,2-oxazol-5-one (CID 3824510) is 4-bromo-3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-bromo-3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-bromo-3-phenyl-2H-1,2-oxazol-5-one is O=c1o[nH]c(-c2ccccc2)c1Br.
What is the InChIKey of 4-bromo-3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is SRKUHDZKIGCCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-7-8(11-13-9(7)12)6-4-2-1-3-5-6/h1-5,11H.
What are the key properties of 4-bromo-3-phenyl-2H-1,2-oxazol-5-one?
4-bromo-3-phenyl-2H-1,2-oxazol-5-one has a molecular weight of 240.06 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 3824510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).