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

C15H11BrN2O — CID 43335720

IUPAC3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2Br)c1-c1ccccc1
InChIInChI=1S/C15H11BrN2O/c16-12-9-5-4-8-11(12)14-13(15(17)19-18-14)10-6-2-1-3-7-10/h1-9H,17H2
InChIKeyVMXXYFLUJDUQOP-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.35
Rot. Bonds2

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

3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 43335720) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID43335720
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2Br)c1-c1ccccc1
InChIInChI=1S/C15H11BrN2O/c16-12-9-5-4-8-11(12)14-13(15(17)19-18-14)10-6-2-1-3-7-10/h1-9H,17H2
InChIKeyVMXXYFLUJDUQOP-UHFFFAOYSA-N
XLogP4.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 107955260
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737
3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107955344
3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 81294873
3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107988970
4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 62830346
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine (CID 43335720) is 3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine is Nc1onc(-c2ccccc2Br)c1-c1ccccc1.
What is the InChIKey of 3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is VMXXYFLUJDUQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-9-5-4-8-11(12)14-13(15(17)19-18-14)10-6-2-1-3-7-10/h1-9H,17H2.
What are the key properties of 3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine?
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 315.17 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43335720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).