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

C13H8BrClN2O2 — CID 106687975

IUPAC4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)o2)c1-c1cccc(Br)c1
InChIInChI=1S/C13H8BrClN2O2/c14-8-3-1-2-7(6-8)11-12(17-19-13(11)16)9-4-5-10(15)18-9/h1-6H,16H2
InChIKeyRRNNGEAENRYWDI-UHFFFAOYSA-N
MW339.58 g/mol
LogP4.60
Rot. Bonds2

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

4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine (PubChem CID 106687975) has the molecular formula C13H8BrClN2O2 and a molecular weight of 339.58 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
PubChem CID106687975
Molecular FormulaC13H8BrClN2O2
Molecular Weight339.58 g/mol
Exact Mass337.95
IUPAC Name4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Cl)o2)c1-c1cccc(Br)c1
InChIInChI=1S/C13H8BrClN2O2/c14-8-3-1-2-7(6-8)11-12(17-19-13(11)16)9-4-5-10(15)18-9/h1-6H,16H2
InChIKeyRRNNGEAENRYWDI-UHFFFAOYSA-N
XLogP4.60
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine
CID 43560884
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
3-(5-chlorofuran-2-yl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 106687987
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 106687953
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261819
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
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 107955260

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine (CID 106687975) is 4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Cl)o2)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine?
The InChIKey is RRNNGEAENRYWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O2/c14-8-3-1-2-7(6-8)11-12(17-19-13(11)16)9-4-5-10(15)18-9/h1-6H,16H2.
What are the key properties of 4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine?
4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine has a molecular weight of 339.58 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 106687975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).