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N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

C17H26N6O2 — CID 56802705

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN2CCCCC2Cn2cncn2)on1
InChIInChI=1S/C17H26N6O2/c1-17(2,3)14-8-16(25-21-14)20-15(24)10-22-7-5-4-6-13(22)9-23-12-18-11-19-23/h8,11-13H,4-7,9-10H2,1-3H3,(H,20,24)
InChIKeyRZEKREZAFUSXHU-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.06
Rot. Bonds5

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 56802705) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID56802705
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN2CCCCC2Cn2cncn2)on1
InChIInChI=1S/C17H26N6O2/c1-17(2,3)14-8-16(25-21-14)20-15(24)10-22-7-5-4-6-13(22)9-23-12-18-11-19-23/h8,11-13H,4-7,9-10H2,1-3H3,(H,20,24)
InChIKeyRZEKREZAFUSXHU-UHFFFAOYSA-N
XLogP2.06
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 56802705) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is CC(C)(C)c1cc(NC(=O)CN2CCCCC2Cn2cncn2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is RZEKREZAFUSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-17(2,3)14-8-16(25-21-14)20-15(24)10-22-7-5-4-6-13(22)9-23-12-18-11-19-23/h8,11-13H,4-7,9-10H2,1-3H3,(H,20,24).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56802705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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