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

C11H11BrN2O2S — CID 104935632

IUPAC5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2ccc(Br)s2)o1
InChIInChI=1S/C11H11BrN2O2S/c1-2-7-5-13-10(16-7)6-14-11(15)8-3-4-9(12)17-8/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyIQMRKWVKJFREGP-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.99
Rot. Bonds4

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

5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 104935632) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID104935632
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2ccc(Br)s2)o1
InChIInChI=1S/C11H11BrN2O2S/c1-2-7-5-13-10(16-7)6-14-11(15)8-3-4-9(12)17-8/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyIQMRKWVKJFREGP-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

4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 106368458
3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104890841
3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide
CID 106376888
5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
CID 104579028
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
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 154839750
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106375670
3-chloro-6-(ethylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 106376933
5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114180836

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide (CID 104935632) is 5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide is CCc1cnc(CNC(=O)c2ccc(Br)s2)o1.
What is the InChIKey of 5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is IQMRKWVKJFREGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-2-7-5-13-10(16-7)6-14-11(15)8-3-4-9(12)17-8/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide?
5-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 5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 104935632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).