butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate

C20H26N2O4 — CID 142662808

IUPACbutyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(COc2ccc(-c3ccon3)cc2)CC1
InChIInChI=1S/C20H26N2O4/c1-2-3-13-24-20(23)22-11-8-16(9-12-22)15-25-18-6-4-17(5-7-18)19-10-14-26-21-19/h4-7,10,14,16H,2-3,8-9,11-13,15H2,1H3
InChIKeyIGYDYLDLBWSEED-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.37
Rot. Bonds7

About butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate

butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate (PubChem CID 142662808) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate
PubChem CID142662808
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namebutyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(COc2ccc(-c3ccon3)cc2)CC1
InChIInChI=1S/C20H26N2O4/c1-2-3-13-24-20(23)22-11-8-16(9-12-22)15-25-18-6-4-17(5-7-18)19-10-14-26-21-19/h4-7,10,14,16H,2-3,8-9,11-13,15H2,1H3
InChIKeyIGYDYLDLBWSEED-UHFFFAOYSA-N
XLogP4.37
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 59814811
4-O-[4-(4-decoxyphenyl)phenyl] 1-O-octyl piperidine-1,4-dicarboxylate
CID 14473778
butyl 4-(3-iodopropyl)piperidine-1-carboxylate
CID 151178027
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate
CID 14989203
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
butyl aziridine-1-carboxylate
CID 12641
butyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 151208440
butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 175819406
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
CID 70848394

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate (CID 142662808) is butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(COc2ccc(-c3ccon3)cc2)CC1.
What is the InChIKey of butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate?
The InChIKey is IGYDYLDLBWSEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-2-3-13-24-20(23)22-11-8-16(9-12-22)15-25-18-6-4-17(5-7-18)19-10-14-26-21-19/h4-7,10,14,16H,2-3,8-9,11-13,15H2,1H3.
What are the key properties of butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate?
butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 142662808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).