(2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone

C23H25N3O2 — CID 95810801

IUPAC(2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC(c3cccc(Cc4ccccc4C)n3)CC2)co1
InChIInChI=1S/C23H25N3O2/c1-16-6-3-4-7-19(16)14-20-8-5-9-21(25-20)18-10-12-26(13-11-18)23(27)22-15-28-17(2)24-22/h3-9,15,18H,10-14H2,1-2H3
InChIKeyLBILKHYIANUBRR-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.30
Rot. Bonds4

About (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone

(2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95810801) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID95810801
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC(c3cccc(Cc4ccccc4C)n3)CC2)co1
InChIInChI=1S/C23H25N3O2/c1-16-6-3-4-7-19(16)14-20-8-5-9-21(25-20)18-10-12-26(13-11-18)23(27)22-15-28-17(2)24-22/h3-9,15,18H,10-14H2,1-2H3
InChIKeyLBILKHYIANUBRR-UHFFFAOYSA-N
XLogP4.30
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810807
[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809553
[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810808
[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808984
2-[(2-methylphenyl)methyl]-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine
CID 95809282
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 110149919
[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809453
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine
CID 95810677
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823462
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 129453675
[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110119168

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 95810801) is (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCC(c3cccc(Cc4ccccc4C)n3)CC2)co1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is LBILKHYIANUBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-6-3-4-7-19(16)14-20-8-5-9-21(25-20)18-10-12-26(13-11-18)23(27)22-15-28-17(2)24-22/h3-9,15,18H,10-14H2,1-2H3.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
(2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-4-yl)-[4-[6-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95810801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).