1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C18H26N4O3 — CID 53499395

IUPAC1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(Cc3ncc(C(C)(C)C)o3)CC2)no1
InChIInChI=1S/C18H26N4O3/c1-12-9-15(21-25-12)20-17(23)13-5-7-22(8-6-13)11-16-19-10-14(24-16)18(2,3)4/h9-10,13H,5-8,11H2,1-4H3,(H,20,21,23)
InChIKeyCLHKKWDARUSAEM-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.12
Rot. Bonds4

About 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 53499395) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID53499395
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(Cc3ncc(C(C)(C)C)o3)CC2)no1
InChIInChI=1S/C18H26N4O3/c1-12-9-15(21-25-12)20-17(23)13-5-7-22(8-6-13)11-16-19-10-14(24-16)18(2,3)4/h9-10,13H,5-8,11H2,1-4H3,(H,20,21,23)
InChIKeyCLHKKWDARUSAEM-UHFFFAOYSA-N
XLogP3.12
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 53499395) is 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(Cc3ncc(C(C)(C)C)o3)CC2)no1.
What is the InChIKey of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is CLHKKWDARUSAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-9-15(21-25-12)20-17(23)13-5-7-22(8-6-13)11-16-19-10-14(24-16)18(2,3)4/h9-10,13H,5-8,11H2,1-4H3,(H,20,21,23).
What are the key properties of 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53499395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).