ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C17H14ClN3O4S — CID 46416086

IUPACethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)n1
InChIInChI=1S/C17H14ClN3O4S/c1-2-24-15(22)7-12-9-26-17(19-12)20-16(23)13-8-14(25-21-13)10-4-3-5-11(18)6-10/h3-6,8-9H,2,7H2,1H3,(H,19,20,23)
InChIKeyVQOZYHBXPSRNRB-UHFFFAOYSA-N
MW391.84 g/mol
LogP3.81
Rot. Bonds6

About ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 46416086) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID46416086
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Nameethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)n1
InChIInChI=1S/C17H14ClN3O4S/c1-2-24-15(22)7-12-9-26-17(19-12)20-16(23)13-8-14(25-21-13)10-4-3-5-11(18)6-10/h3-6,8-9H,2,7H2,1H3,(H,19,20,23)
InChIKeyVQOZYHBXPSRNRB-UHFFFAOYSA-N
XLogP3.81
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 24608759
ethyl 2-[2-[3-(3-chlorophenyl)prop-2-enoylamino]-1,3-thiazol-4-yl]acetate
CID 3351926
ethyl 2-[2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 1147646
ethyl 2-[2-[2-[[4-(3-chlorophenyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623409
ethyl 2-[2-[[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 24666390
ethyl 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 15988641
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 16601599
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 16602656
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 46416086) is ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)n1.
What is the InChIKey of ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is VQOZYHBXPSRNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c1-2-24-15(22)7-12-9-26-17(19-12)20-16(23)13-8-14(25-21-13)10-4-3-5-11(18)6-10/h3-6,8-9H,2,7H2,1H3,(H,19,20,23).
What are the key properties of ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 391.84 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 46416086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).