2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile

C17H20N4O2 — CID 126873654

IUPAC2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile
SMILESCc1oncc1CN1CCC(COc2ncccc2C#N)CC1
InChIInChI=1S/C17H20N4O2/c1-13-16(10-20-23-13)11-21-7-4-14(5-8-21)12-22-17-15(9-18)3-2-6-19-17/h2-3,6,10,14H,4-5,7-8,11-12H2,1H3
InChIKeyNAWKRDOEMMUHTB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.54
Rot. Bonds5

About 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile

2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 126873654) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile
PubChem CID126873654
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile
SMILESCc1oncc1CN1CCC(COc2ncccc2C#N)CC1
InChIInChI=1S/C17H20N4O2/c1-13-16(10-20-23-13)11-21-7-4-14(5-8-21)12-22-17-15(9-18)3-2-6-19-17/h2-3,6,10,14H,4-5,7-8,11-12H2,1H3
InChIKeyNAWKRDOEMMUHTB-UHFFFAOYSA-N
XLogP2.54
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile (CID 126873654) is 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile is Cc1oncc1CN1CCC(COc2ncccc2C#N)CC1.
What is the InChIKey of 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is NAWKRDOEMMUHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-16(10-20-23-13)11-21-7-4-14(5-8-21)12-22-17-15(9-18)3-2-6-19-17/h2-3,6,10,14H,4-5,7-8,11-12H2,1H3.
What are the key properties of 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 126873654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).