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

C18H17N3O4S — CID 1164511

IUPACethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2c(-c3ccccc3)noc2C)n1
InChIInChI=1S/C18H17N3O4S/c1-3-24-14(22)9-13-10-26-18(19-13)20-17(23)15-11(2)25-21-16(15)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,19,20,23)
InChIKeyWKPOSSFBZYPLHN-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.46
Rot. Bonds6

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

ethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 1164511) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is ethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID1164511
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Nameethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2c(-c3ccccc3)noc2C)n1
InChIInChI=1S/C18H17N3O4S/c1-3-24-14(22)9-13-10-26-18(19-13)20-17(23)15-11(2)25-21-16(15)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,19,20,23)
InChIKeyWKPOSSFBZYPLHN-UHFFFAOYSA-N
XLogP3.46
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-4-isoxazolecarboxamide
CID 903511
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1164446
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649216
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7948233
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 126649211
N-{5-[(dimethylamino)carbonyl]-4-methyl-1,3-thiazol-2-yl}-5-methyl-3-phenylisoxazole-4-carboxamide
CID 1225690
Methyl 4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-1,3-thiazole-5-carboxylate
CID 1225785
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1080711
(2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-thiazol-4-yl)-acetic acid ethyl ester
CID 1147646
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2089563
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2114663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 1164511) is ethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2c(-c3ccccc3)noc2C)n1.
What is the InChIKey of ethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is WKPOSSFBZYPLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-3-24-14(22)9-13-10-26-18(19-13)20-17(23)15-11(2)25-21-16(15)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,19,20,23).
What are the key properties of ethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 371.42 g/mol, XLogP of 3.46, 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-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1164511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).