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

C23H21ClN4O3S — CID 43997955

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccccc2)on1)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C23H21ClN4O3S/c24-17-7-4-8-20-21(17)25-23(32-20)28(10-9-27-11-13-30-14-12-27)22(29)18-15-19(31-26-18)16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeyMIEBRQNCIIBFDP-UHFFFAOYSA-N
MW468.97 g/mol
LogP4.58
Rot. Bonds6

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

N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 43997955) has the molecular formula C23H21ClN4O3S and a molecular weight of 468.97 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID43997955
Molecular FormulaC23H21ClN4O3S
Molecular Weight468.97 g/mol
Exact Mass468.10
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccccc2)on1)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C23H21ClN4O3S/c24-17-7-4-8-20-21(17)25-23(32-20)28(10-9-27-11-13-30-14-12-27)22(29)18-15-19(31-26-18)16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeyMIEBRQNCIIBFDP-UHFFFAOYSA-N
XLogP4.58
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137634
N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide
CID 30851392
N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide
CID 18583090
2-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29069473
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide
CID 43997954
N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 71779946
N-(4-chloro-1,3-benzothiazol-2-yl)-2-iodo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934742
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
CID 43997004
N-(4-chloro-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583107
N-(4-chloro-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583109
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide;hydrochloride
CID 121046515
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
CID 29069650

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 43997955) is N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2ccccc2)on1)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MIEBRQNCIIBFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3S/c24-17-7-4-8-20-21(17)25-23(32-20)28(10-9-27-11-13-30-14-12-27)22(29)18-15-19(31-26-18)16-5-2-1-3-6-16/h1-8,15H,9-14H2.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 468.97 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43997955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).