N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide

C10H15N3O2 — CID 2738872

IUPACN-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCNCC1)c1ccno1
InChIInChI=1S/C10H15N3O2/c14-10(9-3-6-13-15-9)12-7-8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2,(H,12,14)
InChIKeySSBIYQOOTNSLGF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.40
Rot. Bonds3

About N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide

N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 2738872) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID2738872
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCNCC1)c1ccno1
InChIInChI=1S/C10H15N3O2/c14-10(9-3-6-13-15-9)12-7-8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2,(H,12,14)
InChIKeySSBIYQOOTNSLGF-UHFFFAOYSA-N
XLogP0.40
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide (CID 2738872) is N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCC1CCNCC1)c1ccno1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is SSBIYQOOTNSLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(9-3-6-13-15-9)12-7-8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2,(H,12,14).
What are the key properties of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2738872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).