3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol

C16H14BrNO2 — CID 22316689

IUPAC3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol
SMILESCC1(O)ON=C(c2ccc(Br)cc2)C1c1ccccc1
InChIInChI=1S/C16H14BrNO2/c1-16(19)14(11-5-3-2-4-6-11)15(18-20-16)12-7-9-13(17)10-8-12/h2-10,14,19H,1H3
InChIKeyWXNCJKYLVNVDRX-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.68
Rot. Bonds2

About 3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol

3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol (PubChem CID 22316689) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol
PubChem CID22316689
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol
SMILESCC1(O)ON=C(c2ccc(Br)cc2)C1c1ccccc1
InChIInChI=1S/C16H14BrNO2/c1-16(19)14(11-5-3-2-4-6-11)15(18-20-16)12-7-9-13(17)10-8-12/h2-10,14,19H,1H3
InChIKeyWXNCJKYLVNVDRX-UHFFFAOYSA-N
XLogP3.68
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol (CID 22316689) is 3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol is CC1(O)ON=C(c2ccc(Br)cc2)C1c1ccccc1.
What is the InChIKey of 3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol?
The InChIKey is WXNCJKYLVNVDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-16(19)14(11-5-3-2-4-6-11)15(18-20-16)12-7-9-13(17)10-8-12/h2-10,14,19H,1H3.
What are the key properties of 3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol?
3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol has a molecular weight of 332.20 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-methyl-4-phenyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 22316689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).