2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

C15H20N2O — CID 117363142

IUPAC2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=NCCO2)c(CC2CCCNC2)c1
InChIInChI=1S/C15H20N2O/c1-2-6-14(15-17-8-9-18-15)13(5-1)10-12-4-3-7-16-11-12/h1-2,5-6,12,16H,3-4,7-11H2
InChIKeyAJSLROJYYUGBTB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.01
Rot. Bonds3

About 2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 117363142) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID117363142
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=NCCO2)c(CC2CCCNC2)c1
InChIInChI=1S/C15H20N2O/c1-2-6-14(15-17-8-9-18-15)13(5-1)10-12-4-3-7-16-11-12/h1-2,5-6,12,16H,3-4,7-11H2
InChIKeyAJSLROJYYUGBTB-UHFFFAOYSA-N
XLogP2.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117363160
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)piperidine
CID 117371533
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
2-[4-(pyrrolidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 84793711
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
3-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine
CID 117358223
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 117363142) is 2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole is c1ccc(C2=NCCO2)c(CC2CCCNC2)c1.
What is the InChIKey of 2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is AJSLROJYYUGBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-6-14(15-17-8-9-18-15)13(5-1)10-12-4-3-7-16-11-12/h1-2,5-6,12,16H,3-4,7-11H2.
What are the key properties of 2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 244.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 117363142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).