3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine

C13H8BrClN2OS — CID 55078987

IUPAC3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)ccc2Cl)c1-c1cccs1
InChIInChI=1S/C13H8BrClN2OS/c14-7-3-4-9(15)8(6-7)12-11(13(16)18-17-12)10-2-1-5-19-10/h1-6H,16H2
InChIKeyLREFWBSZSQYXRZ-UHFFFAOYSA-N
MW355.64 g/mol
LogP5.07
Rot. Bonds2

About 3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine

3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 55078987) has the molecular formula C13H8BrClN2OS and a molecular weight of 355.64 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID55078987
Molecular FormulaC13H8BrClN2OS
Molecular Weight355.64 g/mol
Exact Mass353.92
IUPAC Name3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)ccc2Cl)c1-c1cccs1
InChIInChI=1S/C13H8BrClN2OS/c14-7-3-4-9(15)8(6-7)12-11(13(16)18-17-12)10-2-1-5-19-10/h1-6H,16H2
InChIKeyLREFWBSZSQYXRZ-UHFFFAOYSA-N
XLogP5.07
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.64
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 107972780
3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 81265627
3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521611
3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523152
3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104853233
3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501563
3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500702
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501048
3-(2-fluoro-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62514839
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 43670956

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 55078987) is 3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2cc(Br)ccc2Cl)c1-c1cccs1.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is LREFWBSZSQYXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2OS/c14-7-3-4-9(15)8(6-7)12-11(13(16)18-17-12)10-2-1-5-19-10/h1-6H,16H2.
What are the key properties of 3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 355.64 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 55078987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).