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

C16H12BrFN2O — CID 107982868

IUPAC3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2noc(N)c2-c2ccc(F)cc2)c1Br
InChIInChI=1S/C16H12BrFN2O/c1-9-3-2-4-12(14(9)17)15-13(16(19)21-20-15)10-5-7-11(18)8-6-10/h2-8H,19H2,1H3
InChIKeyNWTPRCMFQLHBJG-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.80
Rot. Bonds2

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

3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 107982868) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID107982868
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2noc(N)c2-c2ccc(F)cc2)c1Br
InChIInChI=1S/C16H12BrFN2O/c1-9-3-2-4-12(14(9)17)15-13(16(19)21-20-15)10-5-7-11(18)8-6-10/h2-8H,19H2,1H3
InChIKeyNWTPRCMFQLHBJG-UHFFFAOYSA-N
XLogP4.80
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107982879
3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
CID 107982866
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43335899
3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158169
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 102801816
4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 62830346
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine (CID 107982868) is 3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine is Cc1cccc(-c2noc(N)c2-c2ccc(F)cc2)c1Br.
What is the InChIKey of 3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is NWTPRCMFQLHBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-3-2-4-12(14(9)17)15-13(16(19)21-20-15)10-5-7-11(18)8-6-10/h2-8H,19H2,1H3.
What are the key properties of 3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 347.19 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-methylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107982868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).