2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid

C12H12N2O4S — CID 43357398

IUPAC2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCc1noc(C)c1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H12N2O4S/c1-3-8-9(6(2)18-14-8)10(15)13-11-7(12(16)17)4-5-19-11/h4-5H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeySXBNNZSZKSNROF-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.56
Rot. Bonds4

About 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid

2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 43357398) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID43357398
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCc1noc(C)c1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H12N2O4S/c1-3-8-9(6(2)18-14-8)10(15)13-11-7(12(16)17)4-5-19-11/h4-5H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeySXBNNZSZKSNROF-UHFFFAOYSA-N
XLogP2.56
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615998
3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833014
3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107046625
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 17173767
N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18090028
N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid (CID 43357398) is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid is CCc1noc(C)c1C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is SXBNNZSZKSNROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-3-8-9(6(2)18-14-8)10(15)13-11-7(12(16)17)4-5-19-11/h4-5H,3H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).