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

C15H13BrFNO2S — CID 22316986

IUPAC3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol
SMILESCc1csc(C2C(c3ccc(Br)cc3)=NOC2(C)O)c1F
InChIInChI=1S/C15H13BrFNO2S/c1-8-7-21-14(12(8)17)11-13(18-20-15(11,2)19)9-3-5-10(16)6-4-9/h3-7,11,19H,1-2H3
InChIKeyNSLOZOORNDOAPE-UHFFFAOYSA-N
MW370.24 g/mol
LogP4.18
Rot. Bonds2

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

3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol (PubChem CID 22316986) has the molecular formula C15H13BrFNO2S and a molecular weight of 370.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol
PubChem CID22316986
Molecular FormulaC15H13BrFNO2S
Molecular Weight370.24 g/mol
Exact Mass368.98
IUPAC Name3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol
SMILESCc1csc(C2C(c3ccc(Br)cc3)=NOC2(C)O)c1F
InChIInChI=1S/C15H13BrFNO2S/c1-8-7-21-14(12(8)17)11-13(18-20-15(11,2)19)9-3-5-10(16)6-4-9/h3-7,11,19H,1-2H3
InChIKeyNSLOZOORNDOAPE-UHFFFAOYSA-N
XLogP4.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol (CID 22316986) is 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol is Cc1csc(C2C(c3ccc(Br)cc3)=NOC2(C)O)c1F.
What is the InChIKey of 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol?
The InChIKey is NSLOZOORNDOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2S/c1-8-7-21-14(12(8)17)11-13(18-20-15(11,2)19)9-3-5-10(16)6-4-9/h3-7,11,19H,1-2H3.
What are the key properties of 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol?
3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol has a molecular weight of 370.24 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-(3-fluoro-4-methylthiophen-2-yl)-5-methyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 22316986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).