ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate

C19H17NO3S — CID 175523587

IUPACethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccccc1-c1ccc(SC)cc1
InChIInChI=1S/C19H17NO3S/c1-3-22-19(21)17-18(23-12-20-17)16-7-5-4-6-15(16)13-8-10-14(24-2)11-9-13/h4-12H,3H2,1-2H3
InChIKeyGNXKFVZNAGLVSM-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.91
Rot. Bonds5

About ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate

ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 175523587) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID175523587
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Nameethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccccc1-c1ccc(SC)cc1
InChIInChI=1S/C19H17NO3S/c1-3-22-19(21)17-18(23-12-20-17)16-7-5-4-6-15(16)13-8-10-14(24-2)11-9-13/h4-12H,3H2,1-2H3
InChIKeyGNXKFVZNAGLVSM-UHFFFAOYSA-N
XLogP4.91
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-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

ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 107099722
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
ethyl 5-[4-(2-hydroxyethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 170887366
ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 82891107
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-(4-chloro-2,5-difluorophenyl)-1,3-oxazole-4-carboxylate
CID 82771967
ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46387154
ethyl 5-[2-(cyclohexylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973922
ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973901
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate (CID 175523587) is ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ccccc1-c1ccc(SC)cc1.
What is the InChIKey of ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is GNXKFVZNAGLVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-3-22-19(21)17-18(23-12-20-17)16-7-5-4-6-15(16)13-8-10-14(24-2)11-9-13/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 175523587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).