N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C13H15BrN2O2S — CID 18133754

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C13H15BrN2O2S/c1-8-11(9(2)18-16-8)7-13(17)15-6-5-10-3-4-12(14)19-10/h3-4H,5-7H2,1-2H3,(H,15,17)
InChIKeyBBFMRCXLNRCKOT-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 18133754) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID18133754
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C13H15BrN2O2S/c1-8-11(9(2)18-16-8)7-13(17)15-6-5-10-3-4-12(14)19-10/h3-4H,5-7H2,1-2H3,(H,15,17)
InChIKeyBBFMRCXLNRCKOT-UHFFFAOYSA-N
XLogP3.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356765
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 119778984
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 47041902
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593398
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18133750
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547519
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471637
N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide
CID 104696927

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 18133754) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is BBFMRCXLNRCKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-8-11(9(2)18-16-8)7-13(17)15-6-5-10-3-4-12(14)19-10/h3-4H,5-7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 343.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 18133754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).