N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C21H19N3O3S — CID 16954110

IUPACN-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3cc(C)on3)nc12
InChIInChI=1S/C21H19N3O3S/c1-13-9-10-17(26-3)18-19(13)28-21(22-18)24(12-15-7-5-4-6-8-15)20(25)16-11-14(2)27-23-16/h4-11H,12H2,1-3H3
InChIKeyNZLSTJRDWBARLR-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.76
Rot. Bonds5

About N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 16954110) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID16954110
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3cc(C)on3)nc12
InChIInChI=1S/C21H19N3O3S/c1-13-9-10-17(26-3)18-19(13)28-21(22-18)24(12-15-7-5-4-6-8-15)20(25)16-11-14(2)27-23-16/h4-11H,12H2,1-3H3
InChIKeyNZLSTJRDWBARLR-UHFFFAOYSA-N
XLogP4.76
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3,4,5-triethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41115592
N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41115646
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 8670883
N-benzyl-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41115551
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 41115421
N-benzyl-2,5-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 41115410
4-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40508358
N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41364399
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40996072
3,5-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40996027
N-benzyl-2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41115638
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-2-carboxamide
CID 43987472

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 16954110) is N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3cc(C)on3)nc12.
What is the InChIKey of N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NZLSTJRDWBARLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13-9-10-17(26-3)18-19(13)28-21(22-18)24(12-15-7-5-4-6-8-15)20(25)16-11-14(2)27-23-16/h4-11H,12H2,1-3H3.
What are the key properties of N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16954110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).