ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate

C18H18ClN3O3S — CID 84820066

IUPACethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(N(C)c2nc(-c3ccc(Cl)cc3)oc2C)s1
InChIInChI=1S/C18H18ClN3O3S/c1-4-24-15(23)9-14-10-20-18(26-14)22(3)16-11(2)25-17(21-16)12-5-7-13(19)8-6-12/h5-8,10H,4,9H2,1-3H3
InChIKeyVZKIJDDQTFOMMB-UHFFFAOYSA-N
MW391.88 g/mol
LogP4.63
Rot. Bonds6

About ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate

ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate (PubChem CID 84820066) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate
PubChem CID84820066
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Nameethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(N(C)c2nc(-c3ccc(Cl)cc3)oc2C)s1
InChIInChI=1S/C18H18ClN3O3S/c1-4-24-15(23)9-14-10-20-18(26-14)22(3)16-11(2)25-17(21-16)12-5-7-13(19)8-6-12/h5-8,10H,4,9H2,1-3H3
InChIKeyVZKIJDDQTFOMMB-UHFFFAOYSA-N
XLogP4.63
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate with MolForge

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Related Compounds

ethyl 2-[5-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]acetate
CID 59385171
ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 25247878
ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
CID 13105457
ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate
CID 58560957
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975
ethyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetate
CID 165346345
ethyl 2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 67459217
ethyl 2-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]acetate
CID 50850175
ethyl 2-[5-(4-chloro-3-fluorophenyl)-2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-oxazol-4-yl]acetate
CID 59384662
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
ethyl 2-[4-[6-(4-chlorophenyl)sulfinyl-1,3-benzoxazol-2-yl]phenyl]acetate
CID 142715967
2-bromo-1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 86674821

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate (CID 84820066) is ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1cnc(N(C)c2nc(-c3ccc(Cl)cc3)oc2C)s1.
What is the InChIKey of ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate?
The InChIKey is VZKIJDDQTFOMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-4-24-15(23)9-14-10-20-18(26-14)22(3)16-11(2)25-17(21-16)12-5-7-13(19)8-6-12/h5-8,10H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate has a molecular weight of 391.88 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-methylamino]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 84820066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).