5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide

C10H9BrN2O2S — CID 24859867

IUPAC5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(-c2cc(Br)cs2)on1
InChIInChI=1S/C10H9BrN2O2S/c1-13(2)10(14)7-4-8(15-12-7)9-3-6(11)5-16-9/h3-5H,1-2H3
InChIKeyHGTQCYXZXKNUDR-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.87
Rot. Bonds2

About 5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide

5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 24859867) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID24859867
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)c1cc(-c2cc(Br)cs2)on1
InChIInChI=1S/C10H9BrN2O2S/c1-13(2)10(14)7-4-8(15-12-7)9-3-6(11)5-16-9/h3-5H,1-2H3
InChIKeyHGTQCYXZXKNUDR-UHFFFAOYSA-N
XLogP2.87
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 37338212
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 47293285
5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 118543057
2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55929042
3-(4-bromothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82307650
2-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 47324014
5-amino-4-(4-bromothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 82489707
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55583076
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55484093
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 38744450
3-[3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]propanoic acid
CID 119232403
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide (CID 24859867) is 5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide is CN(C)C(=O)c1cc(-c2cc(Br)cs2)on1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is HGTQCYXZXKNUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-13(2)10(14)7-4-8(15-12-7)9-3-6(11)5-16-9/h3-5H,1-2H3.
What are the key properties of 5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide?
5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 301.17 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-N,N-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24859867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).