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

C21H19N3O4S — CID 162691673

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2sc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)nc2c1
InChIInChI=1S/C21H19N3O4S/c1-12-17(13(2)28-24-12)11-27-15-6-4-14(5-7-15)20(25)23-21-22-18-10-16(26-3)8-9-19(18)29-21/h4-10H,11H2,1-3H3,(H,22,23,25)
InChIKeyKMJAEABKEVEEKU-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.74
Rot. Bonds6

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 162691673) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID162691673
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2sc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)nc2c1
InChIInChI=1S/C21H19N3O4S/c1-12-17(13(2)28-24-12)11-27-15-6-4-14(5-7-15)20(25)23-21-22-18-10-16(26-3)8-9-19(18)29-21/h4-10H,11H2,1-3H3,(H,22,23,25)
InChIKeyKMJAEABKEVEEKU-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 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31264698
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide
CID 35271562
ethyl 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84564034
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 162691696
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31153670
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
4-methoxy-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850442

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 162691673) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2sc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)nc2c1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is KMJAEABKEVEEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-12-17(13(2)28-24-12)11-27-15-6-4-14(5-7-15)20(25)23-21-22-18-10-16(26-3)8-9-19(18)29-21/h4-10H,11H2,1-3H3,(H,22,23,25).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-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 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 162691673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).