5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole

C23H26N2O — CID 45185948

IUPAC5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
SMILESCc1ccccc1-c1nc(CN2CCCC(c3ccccc3)C2)c(C)o1
InChIInChI=1S/C23H26N2O/c1-17-9-6-7-13-21(17)23-24-22(18(2)26-23)16-25-14-8-12-20(15-25)19-10-4-3-5-11-19/h3-7,9-11,13,20H,8,12,14-16H2,1-2H3
InChIKeyMIKPJUWNCCYJNY-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.34
Rot. Bonds4

About 5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole

5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole (PubChem CID 45185948) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
PubChem CID45185948
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
SMILESCc1ccccc1-c1nc(CN2CCCC(c3ccccc3)C2)c(C)o1
InChIInChI=1S/C23H26N2O/c1-17-9-6-7-13-21(17)23-24-22(18(2)26-23)16-25-14-8-12-20(15-25)19-10-4-3-5-11-19/h3-7,9-11,13,20H,8,12,14-16H2,1-2H3
InChIKeyMIKPJUWNCCYJNY-UHFFFAOYSA-N
XLogP5.34
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole (CID 45185948) is 5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole is Cc1ccccc1-c1nc(CN2CCCC(c3ccccc3)C2)c(C)o1.
What is the InChIKey of 5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is MIKPJUWNCCYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-17-9-6-7-13-21(17)23-24-22(18(2)26-23)16-25-14-8-12-20(15-25)19-10-4-3-5-11-19/h3-7,9-11,13,20H,8,12,14-16H2,1-2H3.
What are the key properties of 5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole?
5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 346.47 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 45185948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).