2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide

C26H37N5O3 — CID 74419301

IUPAC2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide
SMILESCC(C)(C)c1ccc(-c2cc(CC3CNCCC3CC(=O)NCCN3CCNC3=O)no2)cc1
InChIInChI=1S/C26H37N5O3/c1-26(2,3)21-6-4-18(5-7-21)23-16-22(30-34-23)14-20-17-27-9-8-19(20)15-24(32)28-10-12-31-13-11-29-25(31)33/h4-7,16,19-20,27H,8-15,17H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyUZUPDKIMGAMQGY-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.94
Rot. Bonds8

About 2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide

2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide (PubChem CID 74419301) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide
PubChem CID74419301
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide
SMILESCC(C)(C)c1ccc(-c2cc(CC3CNCCC3CC(=O)NCCN3CCNC3=O)no2)cc1
InChIInChI=1S/C26H37N5O3/c1-26(2,3)21-6-4-18(5-7-21)23-16-22(30-34-23)14-20-17-27-9-8-19(20)15-24(32)28-10-12-31-13-11-29-25(31)33/h4-7,16,19-20,27H,8-15,17H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyUZUPDKIMGAMQGY-UHFFFAOYSA-N
XLogP2.94
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide (CID 74419301) is 2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide is CC(C)(C)c1ccc(-c2cc(CC3CNCCC3CC(=O)NCCN3CCNC3=O)no2)cc1.
What is the InChIKey of 2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide?
The InChIKey is UZUPDKIMGAMQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-26(2,3)21-6-4-18(5-7-21)23-16-22(30-34-23)14-20-17-27-9-8-19(20)15-24(32)28-10-12-31-13-11-29-25(31)33/h4-7,16,19-20,27H,8-15,17H2,1-3H3,(H,28,32)(H,29,33).
What are the key properties of 2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide?
2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide has a molecular weight of 467.61 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 74419301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).