2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile

C14H19N3O2 — CID 21332804

IUPAC2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile
SMILESCCCCC1NCC(COc2ncccc2C#N)O1
InChIInChI=1S/C14H19N3O2/c1-2-3-6-13-17-9-12(19-13)10-18-14-11(8-15)5-4-7-16-14/h4-5,7,12-13,17H,2-3,6,9-10H2,1H3
InChIKeyDMKSVVVONDRAAC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.84
Rot. Bonds6

About 2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile

2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile (PubChem CID 21332804) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile
PubChem CID21332804
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile
SMILESCCCCC1NCC(COc2ncccc2C#N)O1
InChIInChI=1S/C14H19N3O2/c1-2-3-6-13-17-9-12(19-13)10-18-14-11(8-15)5-4-7-16-14/h4-5,7,12-13,17H,2-3,6,9-10H2,1H3
InChIKeyDMKSVVVONDRAAC-UHFFFAOYSA-N
XLogP1.84
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hexoxypyridine-3-carbonitrile
CID 29001326
2-(2-butoxyethoxy)pyridine-3-carbonitrile
CID 29001144
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873654
2-[(2-oxopiperidin-4-yl)methoxy]pyridine-3-carbonitrile
CID 117096458
2-(1-propylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile
CID 122249321
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428
2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
CID 66231573
2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873922
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
2-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 54400483
ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
CID 134128969
2-[[(2S,5S)-2-[4-(dimethylamino)phenyl]-1,3-oxazolidin-5-yl]methoxy]benzonitrile
CID 7542782

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile (CID 21332804) is 2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile is CCCCC1NCC(COc2ncccc2C#N)O1.
What is the InChIKey of 2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile?
The InChIKey is DMKSVVVONDRAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-3-6-13-17-9-12(19-13)10-18-14-11(8-15)5-4-7-16-14/h4-5,7,12-13,17H,2-3,6,9-10H2,1H3.
What are the key properties of 2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile?
2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butyl-1,3-oxazolidin-5-yl)methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 21332804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).