5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid

C8H5BrN2O3S — CID 82489707

IUPAC5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESNc1onc(C(=O)O)c1-c1cc(Br)cs1
InChIInChI=1S/C8H5BrN2O3S/c9-3-1-4(15-2-3)5-6(8(12)13)11-14-7(5)10/h1-2H,10H2,(H,12,13)
InChIKeyMNNCGWGLBXXGKX-UHFFFAOYSA-N
MW289.11 g/mol
LogP2.45
Rot. Bonds2

About 5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid

5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 82489707) has the molecular formula C8H5BrN2O3S and a molecular weight of 289.11 g/mol. Its IUPAC name is 5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID82489707
Molecular FormulaC8H5BrN2O3S
Molecular Weight289.11 g/mol
Exact Mass287.92
IUPAC Name5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESNc1onc(C(=O)O)c1-c1cc(Br)cs1
InChIInChI=1S/C8H5BrN2O3S/c9-3-1-4(15-2-3)5-6(8(12)13)11-14-7(5)10/h1-2H,10H2,(H,12,13)
InChIKeyMNNCGWGLBXXGKX-UHFFFAOYSA-N
XLogP2.45
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.11
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid
CID 83558038
5-amino-4-(2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82082347
5-(4-bromothiophen-2-yl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510799
5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 24859867
5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82092642
3-(4-bromothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82307650
5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 105449623
5-amino-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
CID 83529452
4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
CID 116899757
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 115111261
(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103832537

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid (CID 82489707) is 5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid is Nc1onc(C(=O)O)c1-c1cc(Br)cs1.
What is the InChIKey of 5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is MNNCGWGLBXXGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O3S/c9-3-1-4(15-2-3)5-6(8(12)13)11-14-7(5)10/h1-2H,10H2,(H,12,13).
What are the key properties of 5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 289.11 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82489707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).