4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide

C19H26N4O3 — CID 91909882

IUPAC4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(c2noc(COc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C19H26N4O3/c1-3-10-20-19(24)23-11-8-15(9-12-23)18-21-17(26-22-18)13-25-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,20,24)
InChIKeyWTSUHQKUPMMPJW-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.26
Rot. Bonds6

About 4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide

4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide (PubChem CID 91909882) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide
PubChem CID91909882
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(c2noc(COc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C19H26N4O3/c1-3-10-20-19(24)23-11-8-15(9-12-23)18-21-17(26-22-18)13-25-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,20,24)
InChIKeyWTSUHQKUPMMPJW-UHFFFAOYSA-N
XLogP3.26
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide (CID 91909882) is 4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(c2noc(COc3ccc(C)cc3)n2)CC1.
What is the InChIKey of 4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide?
The InChIKey is WTSUHQKUPMMPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-10-20-19(24)23-11-8-15(9-12-23)18-21-17(26-22-18)13-25-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,20,24).
What are the key properties of 4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide?
4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 91909882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).