ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate

C14H15NO3S — CID 5323654

IUPACethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(SC)oc1Cc1ccccc1
InChIInChI=1S/C14H15NO3S/c1-3-17-13(16)12-11(18-14(15-12)19-2)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyCWUVVXGCTVJBCS-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.16
Rot. Bonds5

About ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate

ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate (PubChem CID 5323654) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate
PubChem CID5323654
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(SC)oc1Cc1ccccc1
InChIInChI=1S/C14H15NO3S/c1-3-17-13(16)12-11(18-14(15-12)19-2)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyCWUVVXGCTVJBCS-UHFFFAOYSA-N
XLogP3.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-Methyl-2-(p-tolyl)oxazole-4-carboxylate
CID 58934123
5-Phenyl-1,3-oxazole-4-carboxylic acid
CID 2776299
Ethyl 5-phenyl-1,3-oxazole-4-carboxylate
CID 2796947
Ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 3231335
5-(4-Methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 2739750
Ethyl 2,5-diphenyl-1,3-oxazole-4-carboxylate
CID 13583388
5-Benzyl-4-oxazolecarboxylic acid
CID 15555621
2-Methyl-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 15630344
Ethyl 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 2739543
4-Oxazolecarboxylic acid, 2-(4-fluorophenyl)-5-methyl-, ethyl ester
CID 12282196
Methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727196
Ethyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 2739481

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate (CID 5323654) is ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(SC)oc1Cc1ccccc1.
What is the InChIKey of ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate?
The InChIKey is CWUVVXGCTVJBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-17-13(16)12-11(18-14(15-12)19-2)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate?
ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzyl-2-methylsulfanyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 5323654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).