N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C23H21N3O4S — CID 16594029

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4)o3)n2)c(OC)c1
InChIInChI=1S/C23H21N3O4S/c1-28-16-8-9-17(19(12-16)29-2)18-14-31-23(25-18)26-21(27)10-11-22-24-13-20(30-22)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,25,26,27)
InChIKeyTVEVODUSIDGGIZ-UHFFFAOYSA-N
MW435.51 g/mol
LogP5.05
Rot. Bonds8

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 16594029) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID16594029
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4)o3)n2)c(OC)c1
InChIInChI=1S/C23H21N3O4S/c1-28-16-8-9-17(19(12-16)29-2)18-14-31-23(25-18)26-21(27)10-11-22-24-13-20(30-22)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,25,26,27)
InChIKeyTVEVODUSIDGGIZ-UHFFFAOYSA-N
XLogP5.05
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-phenyl-1,3-oxazol-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 16592790
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 46815681
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 37002957
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 32868601
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16590579
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 29499487
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 17354606
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
N-(5-bromo-2-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55905133
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46667956
N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 95047586
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 16594029) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is COc1ccc(-c2csc(NC(=O)CCc3ncc(-c4ccccc4)o3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is TVEVODUSIDGGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-28-16-8-9-17(19(12-16)29-2)18-14-31-23(25-18)26-21(27)10-11-22-24-13-20(30-22)15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H,25,26,27).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 435.51 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 16594029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).