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

C13H14N2O4S — CID 17173919

IUPACmethyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)c2cc(C)on2)s1
InChIInChI=1S/C13H14N2O4S/c1-4-8-6-9(13(17)18-3)12(20-8)14-11(16)10-5-7(2)19-15-10/h5-6H,4H2,1-3H3,(H,14,16)
InChIKeyKCGDZOYPDSZJAL-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.65
Rot. Bonds4

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

methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 17173919) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID17173919
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Namemethyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)c2cc(C)on2)s1
InChIInChI=1S/C13H14N2O4S/c1-4-8-6-9(13(17)18-3)12(20-8)14-11(16)10-5-7(2)19-15-10/h5-6H,4H2,1-3H3,(H,14,16)
InChIKeyKCGDZOYPDSZJAL-UHFFFAOYSA-N
XLogP2.65
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-bromothiophene-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 1244132
methyl 5-ethyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 1014668
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 62788622
methyl 5-ethyl-2-(2-methoxyethylcarbamothioylamino)thiophene-3-carboxylate
CID 19652105
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083
ethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 106685687
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874617
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate
CID 19615322
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate (CID 17173919) is methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate is CCc1cc(C(=O)OC)c(NC(=O)c2cc(C)on2)s1.
What is the InChIKey of methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is KCGDZOYPDSZJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-4-8-6-9(13(17)18-3)12(20-8)14-11(16)10-5-7(2)19-15-10/h5-6H,4H2,1-3H3,(H,14,16).
What are the key properties of methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate?
methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 17173919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).