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

C17H16BrNO2S — CID 54348463

IUPAC4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol
SMILESCSc1ccc(C2=NOC(C)(O)C2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrNO2S/c1-17(20)15(11-3-7-13(18)8-4-11)16(19-21-17)12-5-9-14(22-2)10-6-12/h3-10,15,20H,1-2H3
InChIKeyUDYXHBGRALOJBU-UHFFFAOYSA-N
MW378.29 g/mol
LogP4.40
Rot. Bonds3

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

4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol (PubChem CID 54348463) has the molecular formula C17H16BrNO2S and a molecular weight of 378.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol
PubChem CID54348463
Molecular FormulaC17H16BrNO2S
Molecular Weight378.29 g/mol
Exact Mass377.01
IUPAC Name4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol
SMILESCSc1ccc(C2=NOC(C)(O)C2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrNO2S/c1-17(20)15(11-3-7-13(18)8-4-11)16(19-21-17)12-5-9-14(22-2)10-6-12/h3-10,15,20H,1-2H3
InChIKeyUDYXHBGRALOJBU-UHFFFAOYSA-N
XLogP4.40
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol (CID 54348463) is 4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol is CSc1ccc(C2=NOC(C)(O)C2c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol?
The InChIKey is UDYXHBGRALOJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2S/c1-17(20)15(11-3-7-13(18)8-4-11)16(19-21-17)12-5-9-14(22-2)10-6-12/h3-10,15,20H,1-2H3.
What are the key properties of 4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol?
4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol has a molecular weight of 378.29 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methyl-3-(4-methylsulfanylphenyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 54348463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).