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

C14H16N2O4S — CID 5130789

IUPACethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(C)on2)sc(C)c1C
InChIInChI=1S/C14H16N2O4S/c1-5-19-14(18)11-8(3)9(4)21-13(11)15-12(17)10-6-7(2)20-16-10/h6H,5H2,1-4H3,(H,15,17)
InChIKeyBFRSSLFDXKPWTQ-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.09
Rot. Bonds4

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

ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 5130789) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID5130789
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Nameethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(C)on2)sc(C)c1C
InChIInChI=1S/C14H16N2O4S/c1-5-19-14(18)11-8(3)9(4)21-13(11)15-12(17)10-6-7(2)20-16-10/h6H,5H2,1-4H3,(H,15,17)
InChIKeyBFRSSLFDXKPWTQ-UHFFFAOYSA-N
XLogP3.09
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-5-isopropyl-3-isoxazolecarboxamide
CID 16188848
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 866473
N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 1246355
Methyl 2-[(5-(2-thienyl)isoxazol-3-yl)carbonylamino]benzoate
CID 3238663
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 5307447
Ethyl 5-acetyl-4-methyl-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 5309341
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309667
Ethyl 2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5309829
Ethyl 5-acetyl-4-methyl-2-{[5-(2-methylpropyl)isoxazol-3-yl]carbonylamino}thio phene-3-carboxylate
CID 9550626
Ethyl 5-acetyl-4-methyl-2-{[5-(methylethyl)isoxazol-3-yl]carbonylamino}thiophe ne-3-carboxylate
CID 9551059
Ethyl 2-{[5-(4-bromophenyl)isoxazol-3-yl]carbonylamino}-4,5-dimethylthiophene-3-carboxylate
CID 15988649
Ethyl 2-(5-ethyl-1,2-oxazole-3-amido)-4,5-dimethylthiophene-3-carboxylate
CID 15988734

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate (CID 5130789) is ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cc(C)on2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is BFRSSLFDXKPWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-5-19-14(18)11-8(3)9(4)21-13(11)15-12(17)10-6-7(2)20-16-10/h6H,5H2,1-4H3,(H,15,17).
What are the key properties of ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 308.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 5130789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).