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

C15H18N2O4S — CID 15988734

IUPACethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(CC)on2)sc(C)c1C
InChIInChI=1S/C15H18N2O4S/c1-5-10-7-11(17-21-10)13(18)16-14-12(15(19)20-6-2)8(3)9(4)22-14/h7H,5-6H2,1-4H3,(H,16,18)
InChIKeyFXUUILPGDSAHRV-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.34
Rot. Bonds5

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

ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 15988734) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID15988734
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Nameethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(CC)on2)sc(C)c1C
InChIInChI=1S/C15H18N2O4S/c1-5-10-7-11(17-21-10)13(18)16-14-12(15(19)20-6-2)8(3)9(4)22-14/h7H,5-6H2,1-4H3,(H,16,18)
InChIKeyFXUUILPGDSAHRV-UHFFFAOYSA-N
XLogP3.34
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 15988734) is ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cc(CC)on2)sc(C)c1C.
What is the InChIKey of ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is FXUUILPGDSAHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-5-10-7-11(17-21-10)13(18)16-14-12(15(19)20-6-2)8(3)9(4)22-14/h7H,5-6H2,1-4H3,(H,16,18).
What are the key properties of ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 15988734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).