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

C25H30N2O4 — CID 26319745

IUPAC2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCC(OCc4ccccc4)CC3)c(C)o2)cc1OC
InChIInChI=1S/C25H30N2O4/c1-18-22(26-25(31-18)20-9-10-23(28-2)24(15-20)29-3)16-27-13-11-21(12-14-27)30-17-19-7-5-4-6-8-19/h4-10,15,21H,11-14,16-17H2,1-3H3
InChIKeyCFDALXKGANEQNI-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.85
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole (PubChem CID 26319745) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
PubChem CID26319745
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCC(OCc4ccccc4)CC3)c(C)o2)cc1OC
InChIInChI=1S/C25H30N2O4/c1-18-22(26-25(31-18)20-9-10-23(28-2)24(15-20)29-3)16-27-13-11-21(12-14-27)30-17-19-7-5-4-6-8-19/h4-10,15,21H,11-14,16-17H2,1-3H3
InChIKeyCFDALXKGANEQNI-UHFFFAOYSA-N
XLogP4.85
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 42346194
2-(3,4-dimethoxyphenyl)-5-methyl-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 25460209
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 42100915
2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45212654
2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42210352
2-(furan-2-yl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25460901
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45214788
2-[[3-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid
CID 22493665
1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20859767
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45228007
1-benzyl-4-[(3,4,5-trimethoxyphenyl)methoxy]piperidine
CID 13194422

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole (CID 26319745) is 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole is COc1ccc(-c2nc(CN3CCC(OCc4ccccc4)CC3)c(C)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is CFDALXKGANEQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-18-22(26-25(31-18)20-9-10-23(28-2)24(15-20)29-3)16-27-13-11-21(12-14-27)30-17-19-7-5-4-6-8-19/h4-10,15,21H,11-14,16-17H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 422.53 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 26319745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).