N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide

C20H18N4O2S — CID 16879649

IUPACN-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCCc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)no3)nc12
InChIInChI=1S/C20H18N4O2S/c1-3-15-7-4-8-17-18(15)22-20(27-17)24(12-14-6-5-9-21-11-14)19(25)16-10-13(2)23-26-16/h4-11H,3,12H2,1-2H3
InChIKeyXYNDWZRIQNCPIT-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.40
Rot. Bonds5

About N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide

N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 16879649) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID16879649
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCCc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)no3)nc12
InChIInChI=1S/C20H18N4O2S/c1-3-15-7-4-8-17-18(15)22-20(27-17)24(12-14-6-5-9-21-11-14)19(25)16-10-13(2)23-26-16/h4-11H,3,12H2,1-2H3
InChIKeyXYNDWZRIQNCPIT-UHFFFAOYSA-N
XLogP4.40
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-(6-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879656
2-(2,4-dimethylphenyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41318829
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 41318848
N-(4-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 43966923
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 18572551
7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 40889997
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16939244
4-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983299
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 16821548
N-(4-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-3-ylmethyl)benzamide
CID 40983351
2-(4-ethoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 40700444
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 41318836

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide (CID 16879649) is N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide is CCc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)no3)nc12.
What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is XYNDWZRIQNCPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-3-15-7-4-8-17-18(15)22-20(27-17)24(12-14-6-5-9-21-11-14)19(25)16-10-13(2)23-26-16/h4-11H,3,12H2,1-2H3.
What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide?
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16879649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).