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

C21H19N3O4S — CID 2108827

IUPACN-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C21H19N3O4S/c1-12-15(13(2)28-24-12)11-27-17-9-8-14(10-18(17)26-3)20(25)23-21-22-16-6-4-5-7-19(16)29-21/h4-10H,11H2,1-3H3,(H,22,23,25)
InChIKeyIEXKZJQJUGQCFA-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.74
Rot. Bonds6

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

N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (PubChem CID 2108827) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
PubChem CID2108827
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C21H19N3O4S/c1-12-15(13(2)28-24-12)11-27-17-9-8-14(10-18(17)26-3)20(25)23-21-22-16-6-4-5-7-19(16)29-21/h4-10H,11H2,1-3H3,(H,22,23,25)
InChIKeyIEXKZJQJUGQCFA-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 N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (CID 2108827) is N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OCc1c(C)noc1C.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The InChIKey is IEXKZJQJUGQCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-12-15(13(2)28-24-12)11-27-17-9-8-14(10-18(17)26-3)20(25)23-21-22-16-6-4-5-7-19(16)29-21/h4-10H,11H2,1-3H3,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide 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 N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 2108827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).