N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide

C19H22N4O5S — CID 30851409

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3ccno3)nc12
InChIInChI=1S/C19H22N4O5S/c1-25-13-3-4-14(26-2)17-16(13)21-19(29-17)23(18(24)15-5-6-20-28-15)8-7-22-9-11-27-12-10-22/h3-6H,7-12H2,1-2H3
InChIKeyFBILYXIGHWNHSC-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.28
Rot. Bonds7

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 30851409) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide
PubChem CID30851409
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3ccno3)nc12
InChIInChI=1S/C19H22N4O5S/c1-25-13-3-4-14(26-2)17-16(13)21-19(29-17)23(18(24)15-5-6-20-28-15)8-7-22-9-11-27-12-10-22/h3-6H,7-12H2,1-2H3
InChIKeyFBILYXIGHWNHSC-UHFFFAOYSA-N
XLogP2.28
TPSA90.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-bromo-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 43997354
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 18583398
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44900464
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitrothiophene-2-carboxamide;hydrochloride
CID 18583405
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 45283963
5-chloro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 18583436
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29072776
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997207
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997648
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44899786
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3,4-difluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43997087
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 44916080

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide (CID 30851409) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide is COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3ccno3)nc12.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is FBILYXIGHWNHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-25-13-3-4-14(26-2)17-16(13)21-19(29-17)23(18(24)15-5-6-20-28-15)8-7-22-9-11-27-12-10-22/h3-6H,7-12H2,1-2H3.
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 30851409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).