2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile

C20H20N4O3 — CID 71120836

IUPAC2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCN(c2ccc(N3CCOC3=O)cn2)CC1
InChIInChI=1S/C20H20N4O3/c21-13-15-3-1-2-4-18(15)27-17-7-9-23(10-8-17)19-6-5-16(14-22-19)24-11-12-26-20(24)25/h1-6,14,17H,7-12H2
InChIKeyRAHOQVCONNCRET-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.96
Rot. Bonds4

About 2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile

2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile (PubChem CID 71120836) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile
PubChem CID71120836
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCN(c2ccc(N3CCOC3=O)cn2)CC1
InChIInChI=1S/C20H20N4O3/c21-13-15-3-1-2-4-18(15)27-17-7-9-23(10-8-17)19-6-5-16(14-22-19)24-11-12-26-20(24)25/h1-6,14,17H,7-12H2
InChIKeyRAHOQVCONNCRET-UHFFFAOYSA-N
XLogP2.96
TPSA78.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile (CID 71120836) is 2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile is N#Cc1ccccc1OC1CCN(c2ccc(N3CCOC3=O)cn2)CC1.
What is the InChIKey of 2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile?
The InChIKey is RAHOQVCONNCRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c21-13-15-3-1-2-4-18(15)27-17-7-9-23(10-8-17)19-6-5-16(14-22-19)24-11-12-26-20(24)25/h1-6,14,17H,7-12H2.
What are the key properties of 2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile?
2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile has a molecular weight of 364.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 71120836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).