4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole

C24H25N3O2 — CID 22009780

IUPAC4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole
SMILESc1ccc(CCc2nc(COc3ccc(CCCn4ccnc4)cc3)co2)cc1
InChIInChI=1S/C24H25N3O2/c1-2-5-20(6-3-1)10-13-24-26-22(18-29-24)17-28-23-11-8-21(9-12-23)7-4-15-27-16-14-25-19-27/h1-3,5-6,8-9,11-12,14,16,18-19H,4,7,10,13,15,17H2
InChIKeyVABGDMOEYSKOKM-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.87
Rot. Bonds10

About 4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole

4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole (PubChem CID 22009780) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole
PubChem CID22009780
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole
SMILESc1ccc(CCc2nc(COc3ccc(CCCn4ccnc4)cc3)co2)cc1
InChIInChI=1S/C24H25N3O2/c1-2-5-20(6-3-1)10-13-24-26-22(18-29-24)17-28-23-11-8-21(9-12-23)7-4-15-27-16-14-25-19-27/h1-3,5-6,8-9,11-12,14,16,18-19H,4,7,10,13,15,17H2
InChIKeyVABGDMOEYSKOKM-UHFFFAOYSA-N
XLogP4.87
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole?
The IUPAC name of 4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole (CID 22009780) is 4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole.
What is the SMILES notation for 4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole?
The canonical SMILES for 4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole is c1ccc(CCc2nc(COc3ccc(CCCn4ccnc4)cc3)co2)cc1.
What is the InChIKey of 4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole?
The InChIKey is VABGDMOEYSKOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-2-5-20(6-3-1)10-13-24-26-22(18-29-24)17-28-23-11-8-21(9-12-23)7-4-15-27-16-14-25-19-27/h1-3,5-6,8-9,11-12,14,16,18-19H,4,7,10,13,15,17H2.
What are the key properties of 4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole?
4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole has a molecular weight of 387.48 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-2-(2-phenylethyl)-1,3-oxazole is sourced from PubChem (CID 22009780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).