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

C16H13BrFNO2 — CID 22316824

IUPAC3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol
SMILESCC1(O)ON=C(c2ccc(Br)cc2)C1c1cccc(F)c1
InChIInChI=1S/C16H13BrFNO2/c1-16(20)14(11-3-2-4-13(18)9-11)15(19-21-16)10-5-7-12(17)8-6-10/h2-9,14,20H,1H3
InChIKeyGEPLRMHJTFIPQQ-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.81
Rot. Bonds2

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

3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol (PubChem CID 22316824) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol
PubChem CID22316824
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Name3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol
SMILESCC1(O)ON=C(c2ccc(Br)cc2)C1c1cccc(F)c1
InChIInChI=1S/C16H13BrFNO2/c1-16(20)14(11-3-2-4-13(18)9-11)15(19-21-16)10-5-7-12(17)8-6-10/h2-9,14,20H,1H3
InChIKeyGEPLRMHJTFIPQQ-UHFFFAOYSA-N
XLogP3.81
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol (CID 22316824) is 3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol is CC1(O)ON=C(c2ccc(Br)cc2)C1c1cccc(F)c1.
What is the InChIKey of 3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol?
The InChIKey is GEPLRMHJTFIPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c1-16(20)14(11-3-2-4-13(18)9-11)15(19-21-16)10-5-7-12(17)8-6-10/h2-9,14,20H,1H3.
What are the key properties of 3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol?
3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol has a molecular weight of 350.19 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 22316824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).