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

C24H27FN2O3 — CID 45214788

IUPAC2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(CN3CCCC(OCc4ccccc4)C3)c(C)o2)c1
InChIInChI=1S/C24H27FN2O3/c1-17-23(26-24(30-17)21-13-19(28-2)10-11-22(21)25)15-27-12-6-9-20(14-27)29-16-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
InChIKeyIZVWLYQWLFBFBV-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.98
Rot. Bonds7

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

2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole (PubChem CID 45214788) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
PubChem CID45214788
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(CN3CCCC(OCc4ccccc4)C3)c(C)o2)c1
InChIInChI=1S/C24H27FN2O3/c1-17-23(26-24(30-17)21-13-19(28-2)10-11-22(21)25)15-27-12-6-9-20(14-27)29-16-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
InChIKeyIZVWLYQWLFBFBV-UHFFFAOYSA-N
XLogP4.98
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45212654
2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56880738
2-(2-fluoro-5-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 95551737
(2S,6R)-4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 29258727
2-[(3S)-1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]propan-2-ol
CID 95561078
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56869440
1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56743698
(9aS)-2-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95468866
(9aS)-2-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95563604
2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 45213463
5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 42346194
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 45190964

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole (CID 45214788) is 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole is COc1ccc(F)c(-c2nc(CN3CCCC(OCc4ccccc4)C3)c(C)o2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is IZVWLYQWLFBFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-17-23(26-24(30-17)21-13-19(28-2)10-11-22(21)25)15-27-12-6-9-20(14-27)29-16-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole?
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 410.49 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 45214788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).