[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

C24H22N2O4S — CID 18280129

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOc1ccc(-c2nc(COC(=O)CCc3ncc(-c4ccc(C)cc4)o3)cs2)cc1
InChIInChI=1S/C24H22N2O4S/c1-16-3-5-17(6-4-16)21-13-25-22(30-21)11-12-23(27)29-14-19-15-31-24(26-19)18-7-9-20(28-2)10-8-18/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyQHJPXANCLGRVAB-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.46
Rot. Bonds8

About [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 18280129) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID18280129
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
SMILESCOc1ccc(-c2nc(COC(=O)CCc3ncc(-c4ccc(C)cc4)o3)cs2)cc1
InChIInChI=1S/C24H22N2O4S/c1-16-3-5-17(6-4-16)21-13-25-22(30-21)11-12-23(27)29-14-19-15-31-24(26-19)18-7-9-20(28-2)10-8-18/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyQHJPXANCLGRVAB-UHFFFAOYSA-N
XLogP5.46
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate
CID 7871098
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 34139985
(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 30136027
(7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 134011939
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16870033
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235569
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 8579793
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-acetamidopropanoate
CID 7197599
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46626983
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 51111929

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate (CID 18280129) is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is COc1ccc(-c2nc(COC(=O)CCc3ncc(-c4ccc(C)cc4)o3)cs2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is QHJPXANCLGRVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16-3-5-17(6-4-16)21-13-25-22(30-21)11-12-23(27)29-14-19-15-31-24(26-19)18-7-9-20(28-2)10-8-18/h3-10,13,15H,11-12,14H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate?
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 434.52 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 18280129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).