N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H13N3O4S — CID 17404469

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)Cn3c(=O)oc4ccccc43)nc12
InChIInChI=1S/C17H13N3O4S/c1-23-12-7-4-8-13-15(12)19-16(25-13)18-14(21)9-20-10-5-2-3-6-11(10)24-17(20)22/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyZBMUJIBMDJLWAF-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.85
Rot. Bonds4

About N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 17404469) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID17404469
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)Cn3c(=O)oc4ccccc43)nc12
InChIInChI=1S/C17H13N3O4S/c1-23-12-7-4-8-13-15(12)19-16(25-13)18-14(21)9-20-10-5-2-3-6-11(10)24-17(20)22/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyZBMUJIBMDJLWAF-UHFFFAOYSA-N
XLogP2.85
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 17404469) is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1cccc2sc(NC(=O)Cn3c(=O)oc4ccccc43)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is ZBMUJIBMDJLWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c1-23-12-7-4-8-13-15(12)19-16(25-13)18-14(21)9-20-10-5-2-3-6-11(10)24-17(20)22/h2-8H,9H2,1H3,(H,18,19,21).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 355.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 17404469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).