2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole

C19H26N2O4 — CID 56880738

IUPAC2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccc(OC)c(-c2nc(CN3CCCC(OC)C3)c(C)o2)c1
InChIInChI=1S/C19H26N2O4/c1-13-17(12-21-9-5-6-15(11-21)23-3)20-19(25-13)16-10-14(22-2)7-8-18(16)24-4/h7-8,10,15H,5-6,9,11-12H2,1-4H3
InChIKeyJXMXHNIAJSJCSF-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.28
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole

2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 56880738) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID56880738
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccc(OC)c(-c2nc(CN3CCCC(OC)C3)c(C)o2)c1
InChIInChI=1S/C19H26N2O4/c1-13-17(12-21-9-5-6-15(11-21)23-3)20-19(25-13)16-10-14(22-2)7-8-18(16)24-4/h7-8,10,15H,5-6,9,11-12H2,1-4H3
InChIKeyJXMXHNIAJSJCSF-UHFFFAOYSA-N
XLogP3.28
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56869440
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carbonitrile
CID 56865325
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 56871770
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45214788
2-(2,5-dimethoxyphenyl)-4-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42304580
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 45190964
2-[(3S)-1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]propan-2-ol
CID 95561078
4-[(3-cyclopentyl-1,2,4-triazol-1-yl)methyl]-2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazole
CID 56744602
[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol
CID 95194346
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
2-(2-fluoro-5-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 95551737
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45228007

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole (CID 56880738) is 2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole is COc1ccc(OC)c(-c2nc(CN3CCCC(OC)C3)c(C)o2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is JXMXHNIAJSJCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-17(12-21-9-5-6-15(11-21)23-3)20-19(25-13)16-10-14(22-2)7-8-18(16)24-4/h7-8,10,15H,5-6,9,11-12H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole?
2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 346.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 56880738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).