N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide

C17H9Cl2N3O2S — CID 43989111

IUPACN-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H9Cl2N3O2S/c18-10-6-7-11(19)15-14(10)20-17(25-15)21-16(23)12-8-13(24-22-12)9-4-2-1-3-5-9/h1-8H,(H,20,21,23)
InChIKeyOAABGFNIWRMTDD-UHFFFAOYSA-N
MW390.25 g/mol
LogP5.51
Rot. Bonds3

About N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 43989111) has the molecular formula C17H9Cl2N3O2S and a molecular weight of 390.25 g/mol. Its IUPAC name is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID43989111
Molecular FormulaC17H9Cl2N3O2S
Molecular Weight390.25 g/mol
Exact Mass388.98
IUPAC NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H9Cl2N3O2S/c18-10-6-7-11(19)15-14(10)20-17(25-15)21-16(23)12-8-13(24-22-12)9-4-2-1-3-5-9/h1-8H,(H,20,21,23)
InChIKeyOAABGFNIWRMTDD-UHFFFAOYSA-N
XLogP5.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.25
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989210
5-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 24649242
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262518
N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 78928016
5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 39041608
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 19398786
N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261982
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447891
N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39042983
5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide
CID 154876265

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 43989111) is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is OAABGFNIWRMTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O2S/c18-10-6-7-11(19)15-14(10)20-17(25-15)21-16(23)12-8-13(24-22-12)9-4-2-1-3-5-9/h1-8H,(H,20,21,23).
What are the key properties of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 390.25 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43989111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).