4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole

C13H21N3O — CID 115040976

IUPAC4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
SMILESCN1CCCCC1c1coc(C2CCCN2)n1
InChIInChI=1S/C13H21N3O/c1-16-8-3-2-6-12(16)11-9-17-13(15-11)10-5-4-7-14-10/h9-10,12,14H,2-8H2,1H3
InChIKeyFGLOYNUMANIVDO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.26
Rot. Bonds2

About 4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole

4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole (PubChem CID 115040976) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
PubChem CID115040976
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
SMILESCN1CCCCC1c1coc(C2CCCN2)n1
InChIInChI=1S/C13H21N3O/c1-16-8-3-2-6-12(16)11-9-17-13(15-11)10-5-4-7-14-10/h9-10,12,14H,2-8H2,1H3
InChIKeyFGLOYNUMANIVDO-UHFFFAOYSA-N
XLogP2.26
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole
CID 115041037
[4-(1-methylpiperidin-2-yl)-1,3-oxazol-2-yl]methanamine
CID 115020308
4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine
CID 115013289
4-propan-2-yl-2-pyrrolidin-2-yl-1,3-oxazole
CID 86276569
2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 82417113
N-methyl-2-(2-piperidin-2-yl-1,3-oxazol-4-yl)ethanamine
CID 115082989
3-(1-propan-2-ylpyrrolidin-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115080930
1-(2-piperidin-2-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082929
2-(2-piperidin-2-yl-1,3-oxazol-4-yl)ethanol
CID 115082913
5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115078374
5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 115080796
3-(1-methylpiperidin-2-yl)-1,2-oxazol-5-amine
CID 115015914

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole?
The IUPAC name of 4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole (CID 115040976) is 4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole?
The canonical SMILES for 4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole is CN1CCCCC1c1coc(C2CCCN2)n1.
What is the InChIKey of 4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole?
The InChIKey is FGLOYNUMANIVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16-8-3-2-6-12(16)11-9-17-13(15-11)10-5-4-7-14-10/h9-10,12,14H,2-8H2,1H3.
What are the key properties of 4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole?
4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole has a molecular weight of 235.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole is sourced from PubChem (CID 115040976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).