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

C15H9Br2FN2O — CID 107972774

IUPAC3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)cc(Br)c2)c1-c1ccccc1F
InChIInChI=1S/C15H9Br2FN2O/c16-9-5-8(6-10(17)7-9)14-13(15(19)21-20-14)11-3-1-2-4-12(11)18/h1-7H,19H2
InChIKeyGELPETMCPZPJDS-UHFFFAOYSA-N
MW412.06 g/mol
LogP5.25
Rot. Bonds2

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

3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 107972774) has the molecular formula C15H9Br2FN2O and a molecular weight of 412.06 g/mol. Its IUPAC name is 3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID107972774
Molecular FormulaC15H9Br2FN2O
Molecular Weight412.06 g/mol
Exact Mass409.91
IUPAC Name3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)cc(Br)c2)c1-c1ccccc1F
InChIInChI=1S/C15H9Br2FN2O/c16-9-5-8(6-10(17)7-9)14-13(15(19)21-20-14)11-3-1-2-4-12(11)18/h1-7H,19H2
InChIKeyGELPETMCPZPJDS-UHFFFAOYSA-N
XLogP5.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.06
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-5-chlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107955314
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 104853236
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 62830346
3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157955
3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107972794
4-(2-fluorophenyl)-3-(2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 79213593
3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 107972780
4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119567
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine (CID 107972774) is 3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2cc(Br)cc(Br)c2)c1-c1ccccc1F.
What is the InChIKey of 3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is GELPETMCPZPJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2FN2O/c16-9-5-8(6-10(17)7-9)14-13(15(19)21-20-14)11-3-1-2-4-12(11)18/h1-7H,19H2.
What are the key properties of 3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine?
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 412.06 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107972774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).