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

C21H23N3O3S — CID 32574457

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2
InChIInChI=1S/C21H23N3O3S/c1-12-8-9-17-19(10-12)28-21(22-17)23-20(25)15-6-4-5-7-18(15)26-11-16-13(2)24-27-14(16)3/h4-7,12H,8-11H2,1-3H3,(H,22,23,25)/t12-/m1/s1
InChIKeyMSSYZOPYKZGNKK-GFCCVEGCSA-N
MW397.50 g/mol
LogP4.70
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (PubChem CID 32574457) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
PubChem CID32574457
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2
InChIInChI=1S/C21H23N3O3S/c1-12-8-9-17-19(10-12)28-21(22-17)23-20(25)15-6-4-5-7-18(15)26-11-16-13(2)24-27-14(16)3/h4-7,12H,8-11H2,1-3H3,(H,22,23,25)/t12-/m1/s1
InChIKeyMSSYZOPYKZGNKK-GFCCVEGCSA-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 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-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 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (CID 32574457) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is MSSYZOPYKZGNKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-12-8-9-17-19(10-12)28-21(22-17)23-20(25)15-6-4-5-7-18(15)26-11-16-13(2)24-27-14(16)3/h4-7,12H,8-11H2,1-3H3,(H,22,23,25)/t12-/m1/s1.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-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 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 32574457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).