3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide

C15H14N4O3S — CID 134430348

IUPAC3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide
SMILESCc1nnc(NC(=O)C2CC(Oc3cccc4scnc34)C2)o1
InChIInChI=1S/C15H14N4O3S/c1-8-18-19-15(21-8)17-14(20)9-5-10(6-9)22-11-3-2-4-12-13(11)16-7-23-12/h2-4,7,9-10H,5-6H2,1H3,(H,17,19,20)
InChIKeyIIQOMZLQAGGEGY-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.78
Rot. Bonds4

About 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide

3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide (PubChem CID 134430348) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide
PubChem CID134430348
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide
SMILESCc1nnc(NC(=O)C2CC(Oc3cccc4scnc34)C2)o1
InChIInChI=1S/C15H14N4O3S/c1-8-18-19-15(21-8)17-14(20)9-5-10(6-9)22-11-3-2-4-12-13(11)16-7-23-12/h2-4,7,9-10H,5-6H2,1H3,(H,17,19,20)
InChIKeyIIQOMZLQAGGEGY-UHFFFAOYSA-N
XLogP2.78
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide (CID 134430348) is 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide is Cc1nnc(NC(=O)C2CC(Oc3cccc4scnc34)C2)o1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide?
The InChIKey is IIQOMZLQAGGEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-8-18-19-15(21-8)17-14(20)9-5-10(6-9)22-11-3-2-4-12-13(11)16-7-23-12/h2-4,7,9-10H,5-6H2,1H3,(H,17,19,20).
What are the key properties of 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide?
3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-4-yloxy)-N-(5-methyl-1,3,4-oxadiazol-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134430348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).