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

C13H14N2O4S — CID 63615998

IUPAC2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCCc1noc(C)c1C(=O)Nc1sc(C)cc1C(=O)O
InChIInChI=1S/C13H14N2O4S/c1-4-9-10(7(3)19-15-9)11(16)14-12-8(13(17)18)5-6(2)20-12/h5H,4H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyQFOWDTCZLXICME-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.87
Rot. Bonds4

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

2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 63615998) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
PubChem CID63615998
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCCc1noc(C)c1C(=O)Nc1sc(C)cc1C(=O)O
InChIInChI=1S/C13H14N2O4S/c1-4-9-10(7(3)19-15-9)11(16)14-12-8(13(17)18)5-6(2)20-12/h5H,4H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyQFOWDTCZLXICME-UHFFFAOYSA-N
XLogP2.87
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.87
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]thiophene-3-carboxylic acid
CID 43357398
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
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174214
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid
CID 78910383
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173529
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid (CID 63615998) is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid is CCc1noc(C)c1C(=O)Nc1sc(C)cc1C(=O)O.
What is the InChIKey of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is QFOWDTCZLXICME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-4-9-10(7(3)19-15-9)11(16)14-12-8(13(17)18)5-6(2)20-12/h5H,4H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid?
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.87, 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]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 63615998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).