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

C17H14N2O4S — CID 896934

IUPACmethyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C17H14N2O4S/c1-10-13(14(19-23-10)11-6-4-3-5-7-11)16(20)18-12-8-9-24-15(12)17(21)22-2/h3-9H,1-2H3,(H,18,20)
InChIKeyBOMDGLDLBFSFKB-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.75
Rot. Bonds4

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

methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 896934) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate
PubChem CID896934
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Namemethyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C17H14N2O4S/c1-10-13(14(19-23-10)11-6-4-3-5-7-11)16(20)18-12-8-9-24-15(12)17(21)22-2/h3-9H,1-2H3,(H,18,20)
InChIKeyBOMDGLDLBFSFKB-UHFFFAOYSA-N
XLogP3.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-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

N-(3-cyanothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2522158
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2811699
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
5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 2165768
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
Methyl 2-[(5-(2-thienyl)isoxazol-3-yl)carbonylamino]benzoate
CID 3238663
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1358448
Methyl 2-{2-[(5-(2-thienyl)isoxazol-3-yl)methoxy]acetylamino}benzoate
CID 16020737

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate (CID 896934) is methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is BOMDGLDLBFSFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-10-13(14(19-23-10)11-6-4-3-5-7-11)16(20)18-12-8-9-24-15(12)17(21)22-2/h3-9H,1-2H3,(H,18,20).
What are the key properties of methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 342.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 896934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).