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

C18H12ClN3O2S — CID 43989210

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3cc(-c4ccccc4)on3)nc12
InChIInChI=1S/C18H12ClN3O2S/c1-10-7-12(19)8-15-16(10)20-18(25-15)21-17(23)13-9-14(24-22-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21,23)
InChIKeyIRLVYTDRBCGBDC-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.17
Rot. Bonds3

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

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 43989210) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID43989210
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3cc(-c4ccccc4)on3)nc12
InChIInChI=1S/C18H12ClN3O2S/c1-10-7-12(19)8-15-16(10)20-18(25-15)21-17(23)13-9-14(24-22-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21,23)
InChIKeyIRLVYTDRBCGBDC-UHFFFAOYSA-N
XLogP5.17
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 43989210) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide is Cc1cc(Cl)cc2sc(NC(=O)c3cc(-c4ccccc4)on3)nc12.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is IRLVYTDRBCGBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c1-10-7-12(19)8-15-16(10)20-18(25-15)21-17(23)13-9-14(24-22-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21,23).
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43989210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).