tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate

C23H28N4O4 — CID 71228314

IUPACtert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCC2=NCC(c3cccc(-c4cnco4)c3)=N2)CC1
InChIInChI=1S/C23H28N4O4/c1-23(2,3)31-22(28)27-9-7-18(8-10-27)29-14-21-25-12-19(26-21)16-5-4-6-17(11-16)20-13-24-15-30-20/h4-6,11,13,15,18H,7-10,12,14H2,1-3H3
InChIKeyZPNIGYYKGPJECQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.96
Rot. Bonds5

About tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate

tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate (PubChem CID 71228314) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate
PubChem CID71228314
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Nametert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCC2=NCC(c3cccc(-c4cnco4)c3)=N2)CC1
InChIInChI=1S/C23H28N4O4/c1-23(2,3)31-22(28)27-9-7-18(8-10-27)29-14-21-25-12-19(26-21)16-5-4-6-17(11-16)20-13-24-15-30-20/h4-6,11,13,15,18H,7-10,12,14H2,1-3H3
InChIKeyZPNIGYYKGPJECQ-UHFFFAOYSA-N
XLogP3.96
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl (4R)-4-(1,3-oxazol-2-yl)azepane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate (CID 71228314) is tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCC2=NCC(c3cccc(-c4cnco4)c3)=N2)CC1.
What is the InChIKey of tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate?
The InChIKey is ZPNIGYYKGPJECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-23(2,3)31-22(28)27-9-7-18(8-10-27)29-14-21-25-12-19(26-21)16-5-4-6-17(11-16)20-13-24-15-30-20/h4-6,11,13,15,18H,7-10,12,14H2,1-3H3.
What are the key properties of tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate?
tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-[3-(1,3-oxazol-5-yl)phenyl]-4H-imidazol-2-yl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 71228314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).