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

C17H21N3O5S — CID 1244031

IUPACmethyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate
SMILESCCc1noc(C)c1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC
InChIInChI=1S/C17H21N3O5S/c1-7-10-12(9(3)25-19-10)14(21)18-15-11(17(23)24-6)8(2)13(26-15)16(22)20(4)5/h7H2,1-6H3,(H,18,21)
InChIKeyGJJOPPNQBRHJJM-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.66
Rot. Bonds5

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

methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate (PubChem CID 1244031) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate
PubChem CID1244031
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Namemethyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate
SMILESCCc1noc(C)c1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC
InChIInChI=1S/C17H21N3O5S/c1-7-10-12(9(3)25-19-10)14(21)18-15-11(17(23)24-6)8(2)13(26-15)16(22)20(4)5/h7H2,1-6H3,(H,18,21)
InChIKeyGJJOPPNQBRHJJM-UHFFFAOYSA-N
XLogP2.66
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

Methyl 4-ethyl-5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
CID 1010915
ethyl 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4063911
Methyl 2-{[(3,5-dimethyl-4-isoxazolyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 1247104
N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 1245157
[2-[(3-Methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790437
Diethyl 5-{[(3,5-dimethyl-4-isoxazolyl)carbonyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1246634
Ethyl 5-(dimethylcarbamoyl)-4-methyl-2-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}thiophene-3-carboxylate
CID 1291611
Methyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
CID 1001328
Isopropyl 5-[(dimethylamino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
CID 1225529
Methyl 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]amino}-4-phenylthiophene-3-carboxylate
CID 1245267
Methyl 2-{[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonyl]amino}-5-propylthiophene-3-carboxylate
CID 1246721
Dimethyl 3-methyl-5-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}thiophene-2,4-dicarboxylate
CID 1358551

Frequently Asked Questions

What is the IUPAC name of methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate (CID 1244031) is methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate is CCc1noc(C)c1C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate?
The InChIKey is GJJOPPNQBRHJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-7-10-12(9(3)25-19-10)14(21)18-15-11(17(23)24-6)8(2)13(26-15)16(22)20(4)5/h7H2,1-6H3,(H,18,21).
What are the key properties of methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate?
methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate has a molecular weight of 379.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(dimethylcarbamoyl)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1244031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).