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

C14H16N2O4S — CID 43403910

IUPACethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2c(C)noc2C)cc1C
InChIInChI=1S/C14H16N2O4S/c1-5-19-14(18)12-7(2)6-10(21-12)15-13(17)11-8(3)16-20-9(11)4/h6H,5H2,1-4H3,(H,15,17)
InChIKeyIPXQPOKFRHYTQD-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.09
Rot. Bonds4

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

ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate (PubChem CID 43403910) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate
PubChem CID43403910
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Nameethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2c(C)noc2C)cc1C
InChIInChI=1S/C14H16N2O4S/c1-5-19-14(18)12-7(2)6-10(21-12)15-13(17)11-8(3)16-20-9(11)4/h6H,5H2,1-4H3,(H,15,17)
InChIKeyIPXQPOKFRHYTQD-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

ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17248983
ethyl 3-methyl-5-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 43406418
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 7942302
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-[(5-chlorofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 43406103
ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate
CID 43406104
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858
ethyl 5-[(3,5-dinitrobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 55331730
ethyl 3-methyl-5-[(4-propan-2-ylbenzoyl)amino]thiophene-2-carboxylate
CID 2353845
ethyl 5-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 43406975
ethyl 5-[(6-methoxypyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 134015968

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate (CID 43403910) is ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2c(C)noc2C)cc1C.
What is the InChIKey of ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate?
The InChIKey is IPXQPOKFRHYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-5-19-14(18)12-7(2)6-10(21-12)15-13(17)11-8(3)16-20-9(11)4/h6H,5H2,1-4H3,(H,15,17).
What are the key properties of ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-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 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 43403910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).