3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide

C11H11BrN2O2S — CID 104890841

IUPAC3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2sccc2Br)o1
InChIInChI=1S/C11H11BrN2O2S/c1-2-7-5-13-9(16-7)6-14-11(15)10-8(12)3-4-17-10/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyGKIVOWGECQOPTC-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.99
Rot. Bonds4

About 3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide

3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 104890841) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID104890841
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2sccc2Br)o1
InChIInChI=1S/C11H11BrN2O2S/c1-2-7-5-13-9(16-7)6-14-11(15)10-8(12)3-4-17-10/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyGKIVOWGECQOPTC-UHFFFAOYSA-N
XLogP2.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104935632
2-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 106371235
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114180825
3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide
CID 106376888
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 106372873
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 106368458
5-[[(3-bromothiophene-2-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 62032654
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106375670

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide (CID 104890841) is 3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide is CCc1cnc(CNC(=O)c2sccc2Br)o1.
What is the InChIKey of 3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is GKIVOWGECQOPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-2-7-5-13-9(16-7)6-14-11(15)10-8(12)3-4-17-10/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide?
3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 104890841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).