N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide

C21H30N4O3 — CID 166293475

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
SMILESCC(C)(C)c1nc(CCNC(=O)C(c2ccccc2)N2CCC(O)CC2)no1
InChIInChI=1S/C21H30N4O3/c1-21(2,3)20-23-17(24-28-20)9-12-22-19(27)18(15-7-5-4-6-8-15)25-13-10-16(26)11-14-25/h4-8,16,18,26H,9-14H2,1-3H3,(H,22,27)
InChIKeyMBVOSZMXRXEEGJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide (PubChem CID 166293475) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
PubChem CID166293475
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
SMILESCC(C)(C)c1nc(CCNC(=O)C(c2ccccc2)N2CCC(O)CC2)no1
InChIInChI=1S/C21H30N4O3/c1-21(2,3)20-23-17(24-28-20)9-12-22-19(27)18(15-7-5-4-6-8-15)25-13-10-16(26)11-14-25/h4-8,16,18,26H,9-14H2,1-3H3,(H,22,27)
InChIKeyMBVOSZMXRXEEGJ-UHFFFAOYSA-N
XLogP2.22
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide (CID 166293475) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide is CC(C)(C)c1nc(CCNC(=O)C(c2ccccc2)N2CCC(O)CC2)no1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
The InChIKey is MBVOSZMXRXEEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-21(2,3)20-23-17(24-28-20)9-12-22-19(27)18(15-7-5-4-6-8-15)25-13-10-16(26)11-14-25/h4-8,16,18,26H,9-14H2,1-3H3,(H,22,27).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide has a molecular weight of 386.50 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 166293475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).