3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C21H19N3O4S — CID 2127619

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)sc2c1
InChIInChI=1S/C21H19N3O4S/c1-12-17(13(2)28-24-12)11-27-16-6-4-5-14(9-16)20(25)23-21-22-18-8-7-15(26-3)10-19(18)29-21/h4-10H,11H2,1-3H3,(H,22,23,25)
InChIKeyJNQCFZQNFFVHDL-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.74
Rot. Bonds6

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2127619) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID2127619
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)sc2c1
InChIInChI=1S/C21H19N3O4S/c1-12-17(13(2)28-24-12)11-27-16-6-4-5-14(9-16)20(25)23-21-22-18-8-7-15(26-3)10-19(18)29-21/h4-10H,11H2,1-3H3,(H,22,23,25)
InChIKeyJNQCFZQNFFVHDL-UHFFFAOYSA-N
XLogP4.74
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylfuran-3-carboxamide
CID 887167
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylfuran-3-carboxamide
CID 1245272
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 679224
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649132
N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-3-furamide
CID 831650
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
4-benzoyl-N-(6-methoxybenzo[d]thiazol-2-yl)benzamide
CID 1548163
N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 2108827

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 2127619) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)sc2c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is JNQCFZQNFFVHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-12-17(13(2)28-24-12)11-27-16-6-4-5-14(9-16)20(25)23-21-22-18-8-7-15(26-3)10-19(18)29-21/h4-10H,11H2,1-3H3,(H,22,23,25).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 409.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2127619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).