4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine

C15H10BrFN2O — CID 62830346

IUPAC4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)cc2)c1-c1ccccc1Br
InChIInChI=1S/C15H10BrFN2O/c16-12-4-2-1-3-11(12)13-14(19-20-15(13)18)9-5-7-10(17)8-6-9/h1-8H,18H2
InChIKeyYRCOQAZHDRHOPW-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.49
Rot. Bonds2

About 4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine

4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 62830346) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID62830346
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)cc2)c1-c1ccccc1Br
InChIInChI=1S/C15H10BrFN2O/c16-12-4-2-1-3-11(12)13-14(19-20-15(13)18)9-5-7-10(17)8-6-9/h1-8H,18H2
InChIKeyYRCOQAZHDRHOPW-UHFFFAOYSA-N
XLogP4.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine (CID 62830346) is 4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(F)cc2)c1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is YRCOQAZHDRHOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-12-4-2-1-3-11(12)13-14(19-20-15(13)18)9-5-7-10(17)8-6-9/h1-8H,18H2.
What are the key properties of 4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine?
4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 333.16 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62830346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).