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

C19H17NO3S — CID 166154754

IUPACethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(SC)cc2)oc1-c1ccccc1
InChIInChI=1S/C19H17NO3S/c1-3-22-19(21)16-17(13-7-5-4-6-8-13)23-18(20-16)14-9-11-15(24-2)12-10-14/h4-12H,3H2,1-2H3
InChIKeyWEWIXCFMUZTAFJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.91
Rot. Bonds5

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

ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 166154754) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
PubChem CID166154754
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Nameethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(SC)cc2)oc1-c1ccccc1
InChIInChI=1S/C19H17NO3S/c1-3-22-19(21)16-17(13-7-5-4-6-8-13)23-18(20-16)14-9-11-15(24-2)12-10-14/h4-12H,3H2,1-2H3
InChIKeyWEWIXCFMUZTAFJ-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

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Related Compounds

ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 70164872
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 175523587
ethyl 2-(4-tert-butylphenyl)-5-(3-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 70164860
benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 44556824
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123
ethyl 5-[4-(methanesulfonamido)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 166154766
ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate
CID 102412779

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate (CID 166154754) is ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(SC)cc2)oc1-c1ccccc1.
What is the InChIKey of ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is WEWIXCFMUZTAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-3-22-19(21)16-17(13-7-5-4-6-8-13)23-18(20-16)14-9-11-15(24-2)12-10-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate?
ethyl 2-(4-methylsulfanylphenyl)-5-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 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 166154754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).