4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide

C17H19N5O3 — CID 17026598

IUPAC4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(N3CCCCC3)c3nonc23)c1C
InChIInChI=1S/C17H19N5O3/c1-10-11(2)24-19-14(10)17(23)18-12-6-7-13(16-15(12)20-25-21-16)22-8-4-3-5-9-22/h6-7H,3-5,8-9H2,1-2H3,(H,18,23)
InChIKeyLMZGKWMMQQQSLM-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.07
Rot. Bonds3

About 4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide

4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide (PubChem CID 17026598) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide
PubChem CID17026598
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(N3CCCCC3)c3nonc23)c1C
InChIInChI=1S/C17H19N5O3/c1-10-11(2)24-19-14(10)17(23)18-12-6-7-13(16-15(12)20-25-21-16)22-8-4-3-5-9-22/h6-7H,3-5,8-9H2,1-2H3,(H,18,23)
InChIKeyLMZGKWMMQQQSLM-UHFFFAOYSA-N
XLogP3.07
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide (CID 17026598) is 4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(N3CCCCC3)c3nonc23)c1C.
What is the InChIKey of 4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is LMZGKWMMQQQSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-11(2)24-19-14(10)17(23)18-12-6-7-13(16-15(12)20-25-21-16)22-8-4-3-5-9-22/h6-7H,3-5,8-9H2,1-2H3,(H,18,23).
What are the key properties of 4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide?
4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17026598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).