4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole

C26H33N3O3 — CID 42199005

IUPAC4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole
SMILESCCOc1ccccc1N1CCN(Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)CC1
InChIInChI=1S/C26H33N3O3/c1-6-31-24-10-8-7-9-23(24)29-13-11-28(12-14-29)17-22-20(4)32-26(27-22)21-15-19(3)25(30-5)16-18(21)2/h7-10,15-16H,6,11-14,17H2,1-5H3
InChIKeyUVIQFNPIGBITGG-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.00
Rot. Bonds7

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

4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole (PubChem CID 42199005) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole
PubChem CID42199005
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole
SMILESCCOc1ccccc1N1CCN(Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)CC1
InChIInChI=1S/C26H33N3O3/c1-6-31-24-10-8-7-9-23(24)29-13-11-28(12-14-29)17-22-20(4)32-26(27-22)21-15-19(3)25(30-5)16-18(21)2/h7-10,15-16H,6,11-14,17H2,1-5H3
InChIKeyUVIQFNPIGBITGG-UHFFFAOYSA-N
XLogP5.00
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 56754112
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42518336
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53053476
(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 95200379
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-4-methylphenol
CID 71944651
1-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 1376192
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1240306
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 45190964
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole (CID 42199005) is 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole is CCOc1ccccc1N1CCN(Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)CC1.
What is the InChIKey of 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole?
The InChIKey is UVIQFNPIGBITGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-6-31-24-10-8-7-9-23(24)29-13-11-28(12-14-29)17-22-20(4)32-26(27-22)21-15-19(3)25(30-5)16-18(21)2/h7-10,15-16H,6,11-14,17H2,1-5H3.
What are the key properties of 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole?
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole has a molecular weight of 435.57 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 42199005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).