2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C11H20N2O — CID 115061939

IUPAC2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(C2CCCCN2)=N1
InChIInChI=1S/C11H20N2O/c1-8(2)10-7-14-11(13-10)9-5-3-4-6-12-9/h8-10,12H,3-7H2,1-2H3
InChIKeyFGYJWXXAGDTPRZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.58
Rot. Bonds2

About 2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 115061939) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID115061939
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(C2CCCCN2)=N1
InChIInChI=1S/C11H20N2O/c1-8(2)10-7-14-11(13-10)9-5-3-4-6-12-9/h8-10,12H,3-7H2,1-2H3
InChIKeyFGYJWXXAGDTPRZ-UHFFFAOYSA-N
XLogP1.58
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061930
3-(2-piperidin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)phenol
CID 115061922
4-(3-fluorophenyl)-2-piperidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061919
4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061820
(4S)-4-propan-2-yl-2-[(15S,16S)-16-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-4,5-dihydro-1,3-oxazole
CID 102113883
5-(azepan-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 65424042
2-(1-propan-2-yltetrazol-5-yl)piperidine
CID 84666405
3,4-dimethyl-5-piperidin-2-yl-1,2-oxazole
CID 83846534
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole
CID 46785750
(2S)-2-propan-2-ylpiperidine
CID 7022854
(4S)-2-[(2S)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101117326

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 115061939) is 2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1COC(C2CCCCN2)=N1.
What is the InChIKey of 2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is FGYJWXXAGDTPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)10-7-14-11(13-10)9-5-3-4-6-12-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 196.29 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).