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

C13H8BrClN2O2 — CID 106687946

IUPAC4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccoc2Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C13H8BrClN2O2/c14-8-3-1-7(2-4-8)10-11(17-19-13(10)16)9-5-6-18-12(9)15/h1-6H,16H2
InChIKeyULRLSEDBEQDJKI-UHFFFAOYSA-N
MW339.58 g/mol
LogP4.60
Rot. Bonds2

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

4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine (PubChem CID 106687946) has the molecular formula C13H8BrClN2O2 and a molecular weight of 339.58 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
PubChem CID106687946
Molecular FormulaC13H8BrClN2O2
Molecular Weight339.58 g/mol
Exact Mass337.95
IUPAC Name4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccoc2Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C13H8BrClN2O2/c14-8-3-1-7(2-4-8)10-11(17-19-13(10)16)9-5-6-18-12(9)15/h1-6H,16H2
InChIKeyULRLSEDBEQDJKI-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine (CID 106687946) is 4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine is Nc1onc(-c2ccoc2Cl)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine?
The InChIKey is ULRLSEDBEQDJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O2/c14-8-3-1-7(2-4-8)10-11(17-19-13(10)16)9-5-6-18-12(9)15/h1-6H,16H2.
What are the key properties of 4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine?
4-(4-bromophenyl)-3-(2-chlorofuran-3-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-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 106687946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).