3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

C21H23N3O3S — CID 43018597

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2nc3c(s2)CC(C)CC3)c1
InChIInChI=1S/C21H23N3O3S/c1-12-7-8-18-19(9-12)28-21(22-18)23-20(25)15-5-4-6-16(10-15)26-11-17-13(2)24-27-14(17)3/h4-6,10,12H,7-9,11H2,1-3H3,(H,22,23,25)
InChIKeyGVIWLCUKKPCZFX-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.70
Rot. Bonds5

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 43018597) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
PubChem CID43018597
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2nc3c(s2)CC(C)CC3)c1
InChIInChI=1S/C21H23N3O3S/c1-12-7-8-18-19(9-12)28-21(22-18)23-20(25)15-5-4-6-16(10-15)26-11-17-13(2)24-27-14(17)3/h4-6,10,12H,7-9,11H2,1-3H3,(H,22,23,25)
InChIKeyGVIWLCUKKPCZFX-UHFFFAOYSA-N
XLogP4.70
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-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

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide (CID 43018597) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2nc3c(s2)CC(C)CC3)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is GVIWLCUKKPCZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-12-7-8-18-19(9-12)28-21(22-18)23-20(25)15-5-4-6-16(10-15)26-11-17-13(2)24-27-14(17)3/h4-6,10,12H,7-9,11H2,1-3H3,(H,22,23,25).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 397.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 43018597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).