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

C13H8Br2N2OS — CID 107972780

IUPAC3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)cc(Br)c2)c1-c1cccs1
InChIInChI=1S/C13H8Br2N2OS/c14-8-4-7(5-9(15)6-8)12-11(13(16)18-17-12)10-2-1-3-19-10/h1-6H,16H2
InChIKeyGRGVBJYNNHLQIT-UHFFFAOYSA-N
MW400.10 g/mol
LogP5.18
Rot. Bonds2

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

3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 107972780) has the molecular formula C13H8Br2N2OS and a molecular weight of 400.10 g/mol. Its IUPAC name is 3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID107972780
Molecular FormulaC13H8Br2N2OS
Molecular Weight400.10 g/mol
Exact Mass397.87
IUPAC Name3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Br)cc(Br)c2)c1-c1cccs1
InChIInChI=1S/C13H8Br2N2OS/c14-8-4-7(5-9(15)6-8)12-11(13(16)18-17-12)10-2-1-3-19-10/h1-6H,16H2
InChIKeyGRGVBJYNNHLQIT-UHFFFAOYSA-N
XLogP5.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.10
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104853233
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55078987
3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501048
3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107972794
3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104786017
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501563
3-(3,5-dibromophenyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107972774
2-(3,5-dibromophenyl)thiophene
CID 19006176
3-(2-fluoro-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62514839
4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 62502729

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 107972780) is 3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2cc(Br)cc(Br)c2)c1-c1cccs1.
What is the InChIKey of 3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is GRGVBJYNNHLQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2OS/c14-8-4-7(5-9(15)6-8)12-11(13(16)18-17-12)10-2-1-3-19-10/h1-6H,16H2.
What are the key properties of 3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 400.10 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 107972780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).