3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

C18H24N4O2 — CID 56707503

IUPAC3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)on1
InChIInChI=1S/C18H24N4O2/c1-2-16-11-17(24-21-16)18(23)20-12-14-5-9-22(10-6-14)13-15-3-7-19-8-4-15/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3,(H,20,23)
InChIKeyNVPFDOCOSXQOHQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.27
Rot. Bonds6

About 3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 56707503) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID56707503
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)on1
InChIInChI=1S/C18H24N4O2/c1-2-16-11-17(24-21-16)18(23)20-12-14-5-9-22(10-6-14)13-15-3-7-19-8-4-15/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3,(H,20,23)
InChIKeyNVPFDOCOSXQOHQ-UHFFFAOYSA-N
XLogP2.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 56707503) is 3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)on1.
What is the InChIKey of 3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NVPFDOCOSXQOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-16-11-17(24-21-16)18(23)20-12-14-5-9-22(10-6-14)13-15-3-7-19-8-4-15/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3,(H,20,23).
What are the key properties of 3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56707503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).