N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide

C16H20N4O3 — CID 45229879

IUPACN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCc1cccnc1N1CCCC(O)C1
InChIInChI=1S/C16H20N4O3/c1-11-14(23-10-19-11)16(22)18-8-12-4-2-6-17-15(12)20-7-3-5-13(21)9-20/h2,4,6,10,13,21H,3,5,7-9H2,1H3,(H,18,22)
InChIKeyBYGBQESVONLEAV-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.27
Rot. Bonds4

About N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 45229879) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID45229879
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCc1cccnc1N1CCCC(O)C1
InChIInChI=1S/C16H20N4O3/c1-11-14(23-10-19-11)16(22)18-8-12-4-2-6-17-15(12)20-7-3-5-13(21)9-20/h2,4,6,10,13,21H,3,5,7-9H2,1H3,(H,18,22)
InChIKeyBYGBQESVONLEAV-UHFFFAOYSA-N
XLogP1.27
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 45229879) is N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCc1cccnc1N1CCCC(O)C1.
What is the InChIKey of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is BYGBQESVONLEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-14(23-10-19-11)16(22)18-8-12-4-2-6-17-15(12)20-7-3-5-13(21)9-20/h2,4,6,10,13,21H,3,5,7-9H2,1H3,(H,18,22).
What are the key properties of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 45229879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).