N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H13N3O3S — CID 2649132

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c(C)noc3C)sc2c1
InChIInChI=1S/C14H13N3O3S/c1-7-12(8(2)20-17-7)13(18)16-14-15-10-5-4-9(19-3)6-11(10)21-14/h4-6H,1-3H3,(H,15,16,18)
InChIKeyXAGRNLZTRWUYSN-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.16
Rot. Bonds3

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2649132) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2649132
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c(C)noc3C)sc2c1
InChIInChI=1S/C14H13N3O3S/c1-7-12(8(2)20-17-7)13(18)16-14-15-10-5-4-9(19-3)6-11(10)21-14/h4-6H,1-3H3,(H,15,16,18)
InChIKeyXAGRNLZTRWUYSN-UHFFFAOYSA-N
XLogP3.16
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2649132) is N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is COc1ccc2nc(NC(=O)c3c(C)noc3C)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is XAGRNLZTRWUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-7-12(8(2)20-17-7)13(18)16-14-15-10-5-4-9(19-3)6-11(10)21-14/h4-6H,1-3H3,(H,15,16,18).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2649132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).