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

C19H26N2O3 — CID 25491864

IUPAC2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(CN2CCC(OC)CC2)c(C)o1
InChIInChI=1S/C19H26N2O3/c1-4-23-18-8-6-5-7-16(18)19-20-17(14(2)24-19)13-21-11-9-15(22-3)10-12-21/h5-8,15H,4,9-13H2,1-3H3
InChIKeyGPSRNROYQCEZKR-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.66
Rot. Bonds6

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

2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 25491864) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID25491864
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(CN2CCC(OC)CC2)c(C)o1
InChIInChI=1S/C19H26N2O3/c1-4-23-18-8-6-5-7-16(18)19-20-17(14(2)24-19)13-21-11-9-15(22-3)10-12-21/h5-8,15H,4,9-13H2,1-3H3
InChIKeyGPSRNROYQCEZKR-UHFFFAOYSA-N
XLogP3.66
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56743559
(S)-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 25482206
2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
CID 95204232
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45230544
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole
CID 42199005
4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53053476
[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-pyridin-3-ylmethanone
CID 45243561
N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxan-4-amine
CID 26328628
5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 42346194

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole (CID 25491864) is 2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole is CCOc1ccccc1-c1nc(CN2CCC(OC)CC2)c(C)o1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is GPSRNROYQCEZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-23-18-8-6-5-7-16(18)19-20-17(14(2)24-19)13-21-11-9-15(22-3)10-12-21/h5-8,15H,4,9-13H2,1-3H3.
What are the key properties of 2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole?
2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 330.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 25491864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).