5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile

C16H19N5O2 — CID 154979181

IUPAC5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile
SMILESCNC1(C)CC(C)(c2nnc(COc3ccc(C#N)nc3)o2)C1
InChIInChI=1S/C16H19N5O2/c1-15(9-16(2,10-15)18-3)14-21-20-13(23-14)8-22-12-5-4-11(6-17)19-7-12/h4-5,7,18H,8-10H2,1-3H3
InChIKeyPPOXKIQPJJDHPI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.94
Rot. Bonds5

About 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile

5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile (PubChem CID 154979181) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile
PubChem CID154979181
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile
SMILESCNC1(C)CC(C)(c2nnc(COc3ccc(C#N)nc3)o2)C1
InChIInChI=1S/C16H19N5O2/c1-15(9-16(2,10-15)18-3)14-21-20-13(23-14)8-22-12-5-4-11(6-17)19-7-12/h4-5,7,18H,8-10H2,1-3H3
InChIKeyPPOXKIQPJJDHPI-UHFFFAOYSA-N
XLogP1.94
TPSA96.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile with MolForge

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide
CID 154979280
2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide
CID 154979264
N,3-dimethyl-3-[5-(1H-pyrrolo[3,2-b]pyridin-6-yloxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine
CID 174176728
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
5-(4-methylpentoxy)pyridine-2-carbonitrile
CID 115487904
5-(cyclohexylmethoxy)pyridine-2-carbonitrile
CID 115487982
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 114697217
5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
CID 21345216
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 113320652
5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103989784

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile?
The IUPAC name of 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile (CID 154979181) is 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile is CNC1(C)CC(C)(c2nnc(COc3ccc(C#N)nc3)o2)C1.
What is the InChIKey of 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile?
The InChIKey is PPOXKIQPJJDHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-15(9-16(2,10-15)18-3)14-21-20-13(23-14)8-22-12-5-4-11(6-17)19-7-12/h4-5,7,18H,8-10H2,1-3H3.
What are the key properties of 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile?
5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile has a molecular weight of 313.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[1,3-dimethyl-3-(methylamino)cyclobutyl]-1,3,4-oxadiazol-2-yl]methoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 154979181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).