3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole

C16H20N2O — CID 142020979

IUPAC3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole
SMILESCN1CCC(c2cc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C16H20N2O/c1-18-9-7-14(8-10-18)16-12-15(17-19-16)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyZVQOVLFVWMLBNH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.07
Rot. Bonds3

About 3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole

3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole (PubChem CID 142020979) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole
PubChem CID142020979
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole
SMILESCN1CCC(c2cc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C16H20N2O/c1-18-9-7-14(8-10-18)16-12-15(17-19-16)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyZVQOVLFVWMLBNH-UHFFFAOYSA-N
XLogP3.07
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole
CID 142020572
3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole
CID 142020921
[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol
CID 115093890
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 119138278
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
4-(3-benzyl-1-ethylpyrazol-5-yl)-1-ethylpiperidine
CID 142020526
4-benzyl-1-methylpiperidine;ethane
CID 142009767
5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
CID 144545946
(3-benzyl-1,2-oxazol-5-yl)-hydroxy-methoxy-methylphosphanium
CID 57312582
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole?
The IUPAC name of 3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole (CID 142020979) is 3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole?
The canonical SMILES for 3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole is CN1CCC(c2cc(Cc3ccccc3)no2)CC1.
What is the InChIKey of 3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole?
The InChIKey is ZVQOVLFVWMLBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18-9-7-14(8-10-18)16-12-15(17-19-16)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole?
3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole has a molecular weight of 256.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole is sourced from PubChem (CID 142020979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).