5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid

C14H17N3O5S — CID 119186927

IUPAC5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCCOC(C)c1noc(CN(C)C(=O)c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C14H17N3O5S/c1-4-21-8(2)12-15-11(22-16-12)7-17(3)13(18)9-5-6-10(23-9)14(19)20/h5-6,8H,4,7H2,1-3H3,(H,19,20)
InChIKeyHKPQRDBUFZNFOD-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.20
Rot. Bonds7

About 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid

5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 119186927) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID119186927
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCCOC(C)c1noc(CN(C)C(=O)c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C14H17N3O5S/c1-4-21-8(2)12-15-11(22-16-12)7-17(3)13(18)9-5-6-10(23-9)14(19)20/h5-6,8H,4,7H2,1-3H3,(H,19,20)
InChIKeyHKPQRDBUFZNFOD-UHFFFAOYSA-N
XLogP2.20
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 71869742
3-[[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]benzoic acid
CID 122029274
3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 119817731
2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 96523969
1-[(5-bromothiophen-2-yl)methyl]-2-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111517235
3-[[methyl-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid
CID 122029372
2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride
CID 119945957
N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026418
(3S)-N-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97324930
N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119817735
5-[(2-amino-2-oxoethyl)-methylcarbamoyl]thiophene-2-carboxylic acid
CID 43453001
N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 95985146

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid (CID 119186927) is 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid is CCOC(C)c1noc(CN(C)C(=O)c2ccc(C(=O)O)s2)n1.
What is the InChIKey of 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is HKPQRDBUFZNFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-4-21-8(2)12-15-11(22-16-12)7-17(3)13(18)9-5-6-10(23-9)14(19)20/h5-6,8H,4,7H2,1-3H3,(H,19,20).
What are the key properties of 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid?
5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119186927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).