3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole

C17H22N2O — CID 142020921

IUPAC3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole
SMILESCN1CCC(c2nocc2CCc2ccccc2)CC1
InChIInChI=1S/C17H22N2O/c1-19-11-9-15(10-12-19)17-16(13-20-18-17)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyPLIDVESJRXJTON-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.27
Rot. Bonds4

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

3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole (PubChem CID 142020921) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole
PubChem CID142020921
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole
SMILESCN1CCC(c2nocc2CCc2ccccc2)CC1
InChIInChI=1S/C17H22N2O/c1-19-11-9-15(10-12-19)17-16(13-20-18-17)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyPLIDVESJRXJTON-UHFFFAOYSA-N
XLogP3.27
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole (CID 142020921) is 3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole is CN1CCC(c2nocc2CCc2ccccc2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole?
The InChIKey is PLIDVESJRXJTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19-11-9-15(10-12-19)17-16(13-20-18-17)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole?
3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole has a molecular weight of 270.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)-1,2-oxazole is sourced from PubChem (CID 142020921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).