[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate

C14H16N2O4S — CID 18156739

IUPAC[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OCC(=O)Nc2cc(C)no2)cc1C
InChIInChI=1S/C14H16N2O4S/c1-4-10-8(2)5-11(21-10)14(18)19-7-12(17)15-13-6-9(3)16-20-13/h5-6H,4,7H2,1-3H3,(H,15,17)
InChIKeyBGYFWWTZJPVQGI-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.71
Rot. Bonds5

About [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate (PubChem CID 18156739) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
PubChem CID18156739
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OCC(=O)Nc2cc(C)no2)cc1C
InChIInChI=1S/C14H16N2O4S/c1-4-10-8(2)5-11(21-10)14(18)19-7-12(17)15-13-6-9(3)16-20-13/h5-6H,4,7H2,1-3H3,(H,15,17)
InChIKeyBGYFWWTZJPVQGI-UHFFFAOYSA-N
XLogP2.71
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate with MolForge

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Related Compounds

[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7651285
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 18158100
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7651463
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 18158113
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 18128885
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 18157596
(2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate
CID 7651394
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 18128877
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 16601355
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 18128883
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16598073

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
The IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate (CID 18156739) is [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate is CCc1sc(C(=O)OCC(=O)Nc2cc(C)no2)cc1C.
What is the InChIKey of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
The InChIKey is BGYFWWTZJPVQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-4-10-8(2)5-11(21-10)14(18)19-7-12(17)15-13-6-9(3)16-20-13/h5-6H,4,7H2,1-3H3,(H,15,17).
What are the key properties of [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate has a molecular weight of 308.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 18156739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).