5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole

C17H26N4O — CID 56780339

IUPAC5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CN2CCCCC2Cn2cccn2)o1
InChIInChI=1S/C17H26N4O/c1-17(2,3)15-11-18-16(22-15)13-20-9-5-4-7-14(20)12-21-10-6-8-19-21/h6,8,10-11,14H,4-5,7,9,12-13H2,1-3H3
InChIKeyQEEIAJVMXZYCNB-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.22
Rot. Bonds4

About 5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole

5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 56780339) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID56780339
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CN2CCCCC2Cn2cccn2)o1
InChIInChI=1S/C17H26N4O/c1-17(2,3)15-11-18-16(22-15)13-20-9-5-4-7-14(20)12-21-10-6-8-19-21/h6,8,10-11,14H,4-5,7,9,12-13H2,1-3H3
InChIKeyQEEIAJVMXZYCNB-UHFFFAOYSA-N
XLogP3.22
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole (CID 56780339) is 5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole is CC(C)(C)c1cnc(CN2CCCCC2Cn2cccn2)o1.
What is the InChIKey of 5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is QEEIAJVMXZYCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-17(2,3)15-11-18-16(22-15)13-20-9-5-4-7-14(20)12-21-10-6-8-19-21/h6,8,10-11,14H,4-5,7,9,12-13H2,1-3H3.
What are the key properties of 5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 302.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 56780339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).