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

C16H20N2O — CID 117394498

IUPAC4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole
SMILESCc1coc(-c2ccc(CC3CCNCC3)cc2)n1
InChIInChI=1S/C16H20N2O/c1-12-11-19-16(18-12)15-4-2-13(3-5-15)10-14-6-8-17-9-7-14/h2-5,11,14,17H,6-10H2,1H3
InChIKeyYOAZVQYVXWFSSF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.19
Rot. Bonds3

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

4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole (PubChem CID 117394498) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole
PubChem CID117394498
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole
SMILESCc1coc(-c2ccc(CC3CCNCC3)cc2)n1
InChIInChI=1S/C16H20N2O/c1-12-11-19-16(18-12)15-4-2-13(3-5-15)10-14-6-8-17-9-7-14/h2-5,11,14,17H,6-10H2,1H3
InChIKeyYOAZVQYVXWFSSF-UHFFFAOYSA-N
XLogP3.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole (CID 117394498) is 4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole is Cc1coc(-c2ccc(CC3CCNCC3)cc2)n1.
What is the InChIKey of 4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole?
The InChIKey is YOAZVQYVXWFSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-11-19-16(18-12)15-4-2-13(3-5-15)10-14-6-8-17-9-7-14/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of 4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole?
4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole has a molecular weight of 256.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 117394498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).