2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide

C19H26N4O3 — CID 55354119

IUPAC2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H26N4O3/c1-19(2,3)22-18(25)21-16(24)12-23-10-8-13(9-11-23)17-20-14-6-4-5-7-15(14)26-17/h4-7,13H,8-12H2,1-3H3,(H2,21,22,24,25)
InChIKeyXJSPBIMTOSIRAA-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.63
Rot. Bonds3

About 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide (PubChem CID 55354119) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
PubChem CID55354119
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H26N4O3/c1-19(2,3)22-18(25)21-16(24)12-23-10-8-13(9-11-23)17-20-14-6-4-5-7-15(14)26-17/h4-7,13H,8-12H2,1-3H3,(H2,21,22,24,25)
InChIKeyXJSPBIMTOSIRAA-UHFFFAOYSA-N
XLogP2.63
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide (CID 55354119) is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide is CC(C)(C)NC(=O)NC(=O)CN1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is XJSPBIMTOSIRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-19(2,3)22-18(25)21-16(24)12-23-10-8-13(9-11-23)17-20-14-6-4-5-7-15(14)26-17/h4-7,13H,8-12H2,1-3H3,(H2,21,22,24,25).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide?
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 55354119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).