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

C19H15N3O2S — CID 2477107

IUPAC5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3nc(-c4ccccc4)oc3C)sc2c1
InChIInChI=1S/C19H15N3O2S/c1-11-8-9-14-15(10-11)25-19(20-14)22-17(23)16-12(2)24-18(21-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22,23)
InChIKeyLIVQKUXUCKUKOU-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.82
Rot. Bonds3

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

5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 2477107) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID2477107
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3nc(-c4ccccc4)oc3C)sc2c1
InChIInChI=1S/C19H15N3O2S/c1-11-8-9-14-15(10-11)25-19(20-14)22-17(23)16-12(2)24-18(21-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22,23)
InChIKeyLIVQKUXUCKUKOU-UHFFFAOYSA-N
XLogP4.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide (CID 2477107) is 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide is Cc1ccc2nc(NC(=O)c3nc(-c4ccccc4)oc3C)sc2c1.
What is the InChIKey of 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is LIVQKUXUCKUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-8-9-14-15(10-11)25-19(20-14)22-17(23)16-12(2)24-18(21-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22,23).
What are the key properties of 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide?
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2477107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).