2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole

C13H21N3O — CID 115041037

IUPAC2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole
SMILESc1oc(C2CCCCN2)nc1C1CCNCC1
InChIInChI=1S/C13H21N3O/c1-2-6-15-11(3-1)13-16-12(9-17-13)10-4-7-14-8-5-10/h9-11,14-15H,1-8H2
InChIKeyHYFLQRGGOZQVAA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds2

About 2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole

2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole (PubChem CID 115041037) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole
PubChem CID115041037
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole
SMILESc1oc(C2CCCCN2)nc1C1CCNCC1
InChIInChI=1S/C13H21N3O/c1-2-6-15-11(3-1)13-16-12(9-17-13)10-4-7-14-8-5-10/h9-11,14-15H,1-8H2
InChIKeyHYFLQRGGOZQVAA-UHFFFAOYSA-N
XLogP1.96
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 115040976
2-(2-piperidin-2-yl-1,3-oxazol-4-yl)ethanol
CID 115082913
2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole
CID 115042771
N-methyl-2-(2-piperidin-2-yl-1,3-oxazol-4-yl)ethanamine
CID 115082989
4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115033401
1-(2-piperidin-2-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082929
4-propan-2-yl-2-pyrrolidin-2-yl-1,3-oxazole
CID 86276569
4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole
CID 84685359
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115025819
2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 82417113

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole (CID 115041037) is 2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole is c1oc(C2CCCCN2)nc1C1CCNCC1.
What is the InChIKey of 2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole?
The InChIKey is HYFLQRGGOZQVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-6-15-11(3-1)13-16-12(9-17-13)10-4-7-14-8-5-10/h9-11,14-15H,1-8H2.
What are the key properties of 2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole?
2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole has a molecular weight of 235.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 115041037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).