3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide

C21H25N5O3 — CID 131903611

IUPAC3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCCCc1nc(N2CCC(CNC(=O)c3conc3-c3ccccc3)CC2)no1
InChIInChI=1S/C21H25N5O3/c1-2-6-18-23-21(25-29-18)26-11-9-15(10-12-26)13-22-20(27)17-14-28-24-19(17)16-7-4-3-5-8-16/h3-5,7-8,14-15H,2,6,9-13H2,1H3,(H,22,27)
InChIKeySEWIVTBLNMTTEA-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.32
Rot. Bonds7

About 3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide

3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 131903611) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID131903611
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCCCc1nc(N2CCC(CNC(=O)c3conc3-c3ccccc3)CC2)no1
InChIInChI=1S/C21H25N5O3/c1-2-6-18-23-21(25-29-18)26-11-9-15(10-12-26)13-22-20(27)17-14-28-24-19(17)16-7-4-3-5-8-16/h3-5,7-8,14-15H,2,6,9-13H2,1H3,(H,22,27)
InChIKeySEWIVTBLNMTTEA-UHFFFAOYSA-N
XLogP3.32
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide (CID 131903611) is 3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide is CCCc1nc(N2CCC(CNC(=O)c3conc3-c3ccccc3)CC2)no1.
What is the InChIKey of 3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is SEWIVTBLNMTTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-2-6-18-23-21(25-29-18)26-11-9-15(10-12-26)13-22-20(27)17-14-28-24-19(17)16-7-4-3-5-8-16/h3-5,7-8,14-15H,2,6,9-13H2,1H3,(H,22,27).
What are the key properties of 3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide?
3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131903611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).