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

C16H13BrN2O — CID 43560913

IUPAC4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1noc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C16H13BrN2O/c1-10-5-2-3-8-13(10)15-14(16(18)20-19-15)11-6-4-7-12(17)9-11/h2-9H,18H2,1H3
InChIKeyFJQDUMOQTMNKFR-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.66
Rot. Bonds2

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

4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 43560913) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID43560913
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1noc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C16H13BrN2O/c1-10-5-2-3-8-13(10)15-14(16(18)20-19-15)11-6-4-7-12(17)9-11/h2-9H,18H2,1H3
InChIKeyFJQDUMOQTMNKFR-UHFFFAOYSA-N
XLogP4.66
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 102801823
4-(3-bromophenyl)-3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 43560893
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
CID 107982866
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157955
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890
3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107982879
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
3-(4-bromo-2-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523150

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine (CID 43560913) is 4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine is Cc1ccccc1-c1noc(N)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is FJQDUMOQTMNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-10-5-2-3-8-13(10)15-14(16(18)20-19-15)11-6-4-7-12(17)9-11/h2-9H,18H2,1H3.
What are the key properties of 4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine?
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 329.20 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43560913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).