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

C20H19N3O2S — CID 22009726

IUPAC2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2coc(COc3ccc(CCCn4ccnc4)cc3)n2)c1
InChIInChI=1S/C20H19N3O2S/c1(10-23-11-9-21-15-23)3-16-5-7-17(8-6-16)24-14-20-22-18(13-25-20)19-4-2-12-26-19/h2,4-9,11-13,15H,1,3,10,14H2
InChIKeyMGMXFSJLBYAATB-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.81
Rot. Bonds8

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

2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole (PubChem CID 22009726) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole
PubChem CID22009726
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2coc(COc3ccc(CCCn4ccnc4)cc3)n2)c1
InChIInChI=1S/C20H19N3O2S/c1(10-23-11-9-21-15-23)3-16-5-7-17(8-6-16)24-14-20-22-18(13-25-20)19-4-2-12-26-19/h2,4-9,11-13,15H,1,3,10,14H2
InChIKeyMGMXFSJLBYAATB-UHFFFAOYSA-N
XLogP4.81
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole (CID 22009726) is 2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole is c1csc(-c2coc(COc3ccc(CCCn4ccnc4)cc3)n2)c1.
What is the InChIKey of 2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole?
The InChIKey is MGMXFSJLBYAATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1(10-23-11-9-21-15-23)3-16-5-7-17(8-6-16)24-14-20-22-18(13-25-20)19-4-2-12-26-19/h2,4-9,11-13,15H,1,3,10,14H2.
What are the key properties of 2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole?
2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole has a molecular weight of 365.46 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-4-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 22009726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).