5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol

C24H29N3O4 — CID 137228385

IUPAC5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
SMILESCCN1CCN(CCOc2ccc(-c3oncc3-c3ccc(OC)cc3)c(O)c2)CC1
InChIInChI=1S/C24H29N3O4/c1-3-26-10-12-27(13-11-26)14-15-30-20-8-9-21(23(28)16-20)24-22(17-25-31-24)18-4-6-19(29-2)7-5-18/h4-9,16-17,28H,3,10-15H2,1-2H3
InChIKeyHMNRMRFODCLOOW-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.74
Rot. Bonds8

About 5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol

5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol (PubChem CID 137228385) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
PubChem CID137228385
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol
SMILESCCN1CCN(CCOc2ccc(-c3oncc3-c3ccc(OC)cc3)c(O)c2)CC1
InChIInChI=1S/C24H29N3O4/c1-3-26-10-12-27(13-11-26)14-15-30-20-8-9-21(23(28)16-20)24-22(17-25-31-24)18-4-6-19(29-2)7-5-18/h4-9,16-17,28H,3,10-15H2,1-2H3
InChIKeyHMNRMRFODCLOOW-UHFFFAOYSA-N
XLogP3.74
TPSA71.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenol
CID 137228389
2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-(5-piperidin-1-ylpentoxy)phenol
CID 135950334
5-methoxy-2-(4-phenyl-1,2-oxazol-5-yl)phenol
CID 135657525
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-morpholin-4-ylethoxy)phenol
CID 135656441
2-[2-hydroxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxy-1-benzofuran-3-carboxylic acid
CID 141398778
5-methoxy-2-(4-quinolin-8-yl-1,2-oxazol-5-yl)phenol
CID 135814746
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
CID 1300408
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol (CID 137228385) is 5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol is CCN1CCN(CCOc2ccc(-c3oncc3-c3ccc(OC)cc3)c(O)c2)CC1.
What is the InChIKey of 5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is HMNRMRFODCLOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-26-10-12-27(13-11-26)14-15-30-20-8-9-21(23(28)16-20)24-22(17-25-31-24)18-4-6-19(29-2)7-5-18/h4-9,16-17,28H,3,10-15H2,1-2H3.
What are the key properties of 5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol?
5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 423.51 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 137228385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).