[4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone

C23H25N3O3 — CID 123977373

IUPAC[4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCCCC3COc3cccnc3)o2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)22-25-17(2)21(29-22)23(27)26-13-4-3-6-19(26)15-28-20-7-5-12-24-14-20/h5,7-12,14,19H,3-4,6,13,15H2,1-2H3
InChIKeyNMUPKDCRTKIIJO-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.43
Rot. Bonds5

About [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone

[4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone (PubChem CID 123977373) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
PubChem CID123977373
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCCCC3COc3cccnc3)o2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)22-25-17(2)21(29-22)23(27)26-13-4-3-6-19(26)15-28-20-7-5-12-24-14-20/h5,7-12,14,19H,3-4,6,13,15H2,1-2H3
InChIKeyNMUPKDCRTKIIJO-UHFFFAOYSA-N
XLogP4.43
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
CID 158213092
(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
CID 159745251
benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
CID 147274685
(1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
CID 158554982
(E)-but-2-enedioic acid;3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 66629517
N-propan-2-yl-4-[[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339987
[5-(4-methoxyphenyl)furan-2-yl]-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone;dihydrochloride
CID 66797003
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
1-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124955277
[2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 110906671
[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazol-5-yl]-piperidin-1-ylmethanone
CID 68500099
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone (CID 123977373) is [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone is Cc1ccc(-c2nc(C)c(C(=O)N3CCCCC3COc3cccnc3)o2)cc1.
What is the InChIKey of [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
The InChIKey is NMUPKDCRTKIIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-8-10-18(11-9-16)22-25-17(2)21(29-22)23(27)26-13-4-3-6-19(26)15-28-20-7-5-12-24-14-20/h5,7-12,14,19H,3-4,6,13,15H2,1-2H3.
What are the key properties of [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
[4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 123977373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).