2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole

C22H24N2O2 — CID 86972382

IUPAC2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESc1ccc(OCC2CCCN(Cc3ncc(-c4ccccc4)o3)C2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-9-19(10-4-1)21-14-23-22(26-21)16-24-13-7-8-18(15-24)17-25-20-11-5-2-6-12-20/h1-6,9-12,14,18H,7-8,13,15-17H2
InChIKeySBPNEASHOUWSBY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.63
Rot. Bonds6

About 2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole

2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole (PubChem CID 86972382) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
PubChem CID86972382
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESc1ccc(OCC2CCCN(Cc3ncc(-c4ccccc4)o3)C2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-9-19(10-4-1)21-14-23-22(26-21)16-24-13-7-8-18(15-24)17-25-20-11-5-2-6-12-20/h1-6,9-12,14,18H,7-8,13,15-17H2
InChIKeySBPNEASHOUWSBY-UHFFFAOYSA-N
XLogP4.63
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride
CID 119927342
5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 45175492
2,6-dimethyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 51072746
(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250
(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 125149368
5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 18167942
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine;dihydrochloride
CID 119918897
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 119919861
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062017
1-pentyl-3-[(3-phenylphenoxy)methyl]piperidine
CID 54453009

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole (CID 86972382) is 2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole is c1ccc(OCC2CCCN(Cc3ncc(-c4ccccc4)o3)C2)cc1.
What is the InChIKey of 2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The InChIKey is SBPNEASHOUWSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-9-19(10-4-1)21-14-23-22(26-21)16-24-13-7-8-18(15-24)17-25-20-11-5-2-6-12-20/h1-6,9-12,14,18H,7-8,13,15-17H2.
What are the key properties of 2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole has a molecular weight of 348.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 86972382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).