3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide

C22H18Cl2N4O3S — CID 39624353

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C22H18Cl2N4O3S/c1-12-18(20(27-31-12)19-14(23)3-2-4-15(19)24)21(29)25-13-5-6-16-17(11-13)32-22(26-16)28-7-9-30-10-8-28/h2-6,11H,7-10H2,1H3,(H,25,29)
InChIKeyLGYQGXLVYZETJD-UHFFFAOYSA-N
MW489.38 g/mol
LogP5.66
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide (PubChem CID 39624353) has the molecular formula C22H18Cl2N4O3S and a molecular weight of 489.38 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide
PubChem CID39624353
Molecular FormulaC22H18Cl2N4O3S
Molecular Weight489.38 g/mol
Exact Mass488.05
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C22H18Cl2N4O3S/c1-12-18(20(27-31-12)19-14(23)3-2-4-15(19)24)21(29)25-13-5-6-16-17(11-13)32-22(26-16)28-7-9-30-10-8-28/h2-6,11H,7-10H2,1H3,(H,25,29)
InChIKeyLGYQGXLVYZETJD-UHFFFAOYSA-N
XLogP5.66
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,5-trimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide
CID 99172414
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46520819
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 35445200
4-acetyl-3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1H-pyrrole-2-carboxamide
CID 9362111
N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55572102
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide (CID 39624353) is 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is LGYQGXLVYZETJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3S/c1-12-18(20(27-31-12)19-14(23)3-2-4-15(19)24)21(29)25-13-5-6-16-17(11-13)32-22(26-16)28-7-9-30-10-8-28/h2-6,11H,7-10H2,1H3,(H,25,29).
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 489.38 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39624353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).