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

C15H14BrNO2S — CID 22316793

IUPAC4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol
SMILESCc1csc(C2=NOC(C)(O)C2c2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO2S/c1-9-7-12(20-8-9)14-13(15(2,18)19-17-14)10-3-5-11(16)6-4-10/h3-8,13,18H,1-2H3
InChIKeySPNPIDBIUGMJII-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.05
Rot. Bonds2

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

4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol (PubChem CID 22316793) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol
PubChem CID22316793
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol
SMILESCc1csc(C2=NOC(C)(O)C2c2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO2S/c1-9-7-12(20-8-9)14-13(15(2,18)19-17-14)10-3-5-11(16)6-4-10/h3-8,13,18H,1-2H3
InChIKeySPNPIDBIUGMJII-UHFFFAOYSA-N
XLogP4.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.05
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-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol (CID 22316793) is 4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol is Cc1csc(C2=NOC(C)(O)C2c2ccc(Br)cc2)c1.
What is the InChIKey of 4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol?
The InChIKey is SPNPIDBIUGMJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c1-9-7-12(20-8-9)14-13(15(2,18)19-17-14)10-3-5-11(16)6-4-10/h3-8,13,18H,1-2H3.
What are the key properties of 4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol?
4-(4-bromophenyl)-5-methyl-3-(4-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol has a molecular weight of 352.25 g/mol, XLogP of 4.05, 2 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-methylthiophen-2-yl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 22316793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).