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

C10H8BrClN2O — CID 79557098

IUPAC5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine
SMILESCc1cc(Br)ccc1-c1onc(N)c1Cl
InChIInChI=1S/C10H8BrClN2O/c1-5-4-6(11)2-3-7(5)9-8(12)10(13)14-15-9/h2-4H,1H3,(H2,13,14)
InChIKeyXRGZGWSQAAUYDH-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.65
Rot. Bonds1

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

5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine (PubChem CID 79557098) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is 5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine
PubChem CID79557098
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine
SMILESCc1cc(Br)ccc1-c1onc(N)c1Cl
InChIInChI=1S/C10H8BrClN2O/c1-5-4-6(11)2-3-7(5)9-8(12)10(13)14-15-9/h2-4H,1H3,(H2,13,14)
InChIKeyXRGZGWSQAAUYDH-UHFFFAOYSA-N
XLogP3.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-2-methylphenyl)-3-chloro-1,2,4-oxadiazole
CID 112571812
4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine
CID 79555940
4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine
CID 79555946
4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 79555769
5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66200466
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-chloroaniline
CID 103083253
4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
CID 82879782
5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199197
5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine
CID 82890379
5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66198471
4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79556610
5-(4-bromo-2-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199777

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine (CID 79557098) is 5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine is Cc1cc(Br)ccc1-c1onc(N)c1Cl.
What is the InChIKey of 5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine?
The InChIKey is XRGZGWSQAAUYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c1-5-4-6(11)2-3-7(5)9-8(12)10(13)14-15-9/h2-4H,1H3,(H2,13,14).
What are the key properties of 5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine?
5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine has a molecular weight of 287.54 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine is sourced from PubChem (CID 79557098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).