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

C16H20N2O4S — CID 1246721

IUPACmethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OC)c(NC(=O)c2c(CC)noc2C)s1
InChIInChI=1S/C16H20N2O4S/c1-5-7-10-8-11(16(20)21-4)15(23-10)17-14(19)13-9(3)22-18-12(13)6-2/h8H,5-7H2,1-4H3,(H,17,19)
InChIKeyHXIXHKPNHOANQH-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.60
Rot. Bonds6

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

methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate (PubChem CID 1246721) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate
PubChem CID1246721
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Namemethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OC)c(NC(=O)c2c(CC)noc2C)s1
InChIInChI=1S/C16H20N2O4S/c1-5-7-10-8-11(16(20)21-4)15(23-10)17-14(19)13-9(3)22-18-12(13)6-2/h8H,5-7H2,1-4H3,(H,17,19)
InChIKeyHXIXHKPNHOANQH-UHFFFAOYSA-N
XLogP3.60
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1001041
Ethyl 5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-phenylthiophene-3-carboxylate
CID 1748303
Methyl 2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-phenyl-3-thiophenecarboxylate
CID 1222720
Methyl 5-[(dimethylamino)carbonyl]-2-{[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]amino}-4-methyl-3-thiophenecarboxylate
CID 1244031
Methyl 3-{[(3,5-dimethyl-4-isoxazolyl)carbonyl]amino}-2-thiophenecarboxylate
CID 1247018
Ethyl 4-(3-methylphenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
CID 1748344
Ethyl 4-(4-fluorophenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
CID 2166324
4-Cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 2576479
Ethyl 5-acetyl-4-methyl-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 5309341
Ethyl 2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5309829
Ethyl 5-acetyl-4-methyl-2-{[5-(2-methylpropyl)isoxazol-3-yl]carbonylamino}thio phene-3-carboxylate
CID 9550626
Ethyl 2-(5-ethyl-1,2-oxazole-3-amido)-4,5-dimethylthiophene-3-carboxylate
CID 15988734

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate (CID 1246721) is methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate is CCCc1cc(C(=O)OC)c(NC(=O)c2c(CC)noc2C)s1.
What is the InChIKey of methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate?
The InChIKey is HXIXHKPNHOANQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-5-7-10-8-11(16(20)21-4)15(23-10)17-14(19)13-9(3)22-18-12(13)6-2/h8H,5-7H2,1-4H3,(H,17,19).
What are the key properties of methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate?
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-propylthiophene-3-carboxylate is sourced from PubChem (CID 1246721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).