ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate

C20H21N3O4S — CID 11395453

IUPACethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1cs/c(=N\C)n1-c1c(C)noc1/C=C/c1ccc(OC)cc1
InChIInChI=1S/C20H21N3O4S/c1-5-26-19(24)16-12-28-20(21-3)23(16)18-13(2)22-27-17(18)11-8-14-6-9-15(25-4)10-7-14/h6-12H,5H2,1-4H3/b11-8+,21-20-
InChIKeyYQYZOOUKJGOYIQ-HGBUNHFQSA-N
MW399.47 g/mol
LogP3.72
Rot. Bonds6

About ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate

ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate (PubChem CID 11395453) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate
PubChem CID11395453
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Nameethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1cs/c(=N\C)n1-c1c(C)noc1/C=C/c1ccc(OC)cc1
InChIInChI=1S/C20H21N3O4S/c1-5-26-19(24)16-12-28-20(21-3)23(16)18-13(2)22-27-17(18)11-8-14-6-9-15(25-4)10-7-14/h6-12H,5H2,1-4H3/b11-8+,21-20-
InChIKeyYQYZOOUKJGOYIQ-HGBUNHFQSA-N
XLogP3.72
TPSA78.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

3-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-N-methyl-4-phenyl-1,3-thiazol-2-imine
CID 11475299
5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
CID 102467999
6,8-dibromo-3-[3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-phenylimino-1,3-thiazol-4-yl]chromen-2-one
CID 11227776
2-[[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-phenacylamino]-1-phenylethanone
CID 139226892
ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate
CID 44522768
3-N,5-N-bis[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 11657690
N-[5-[(Z)-2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 46394527
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898
ethyl 5-methoxy-1-prop-2-enylindole-2-carboxylate
CID 71427681
ethyl 7-methoxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]indolizine-1-carboxylate
CID 127043147
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate (CID 11395453) is ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate is CCOC(=O)c1cs/c(=N\C)n1-c1c(C)noc1/C=C/c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate?
The InChIKey is YQYZOOUKJGOYIQ-HGBUNHFQSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-5-26-19(24)16-12-28-20(21-3)23(16)18-13(2)22-27-17(18)11-8-14-6-9-15(25-4)10-7-14/h6-12H,5H2,1-4H3/b11-8+,21-20-.
What are the key properties of ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate?
ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate has a molecular weight of 399.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-methylimino-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 11395453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).