tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate

C33H44N4O5 — CID 67372546

IUPACtert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate
SMILESCCCCc1nnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC2CCCCC2)c(-c2ncco2)c1
InChIInChI=1S/C33H44N4O5/c1-5-6-12-28-26(22-30(36-35-28)41-25-15-18-37(19-16-25)32(38)42-33(2,3)4)23-13-14-29(40-24-10-8-7-9-11-24)27(21-23)31-34-17-20-39-31/h13-14,17,20-22,24-25H,5-12,15-16,18-19H2,1-4H3
InChIKeyUIZGAPCACFQIKN-UHFFFAOYSA-N
MW576.74 g/mol
LogP7.63
Rot. Bonds9

About tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate (PubChem CID 67372546) has the molecular formula C33H44N4O5 and a molecular weight of 576.74 g/mol. Its IUPAC name is tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate
PubChem CID67372546
Molecular FormulaC33H44N4O5
Molecular Weight576.74 g/mol
Exact Mass576.33
IUPAC Nametert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate
SMILESCCCCc1nnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC2CCCCC2)c(-c2ncco2)c1
InChIInChI=1S/C33H44N4O5/c1-5-6-12-28-26(22-30(36-35-28)41-25-15-18-37(19-16-25)32(38)42-33(2,3)4)23-13-14-29(40-24-10-8-7-9-11-24)27(21-23)31-34-17-20-39-31/h13-14,17,20-22,24-25H,5-12,15-16,18-19H2,1-4H3
InChIKeyUIZGAPCACFQIKN-UHFFFAOYSA-N
XLogP7.63
TPSA99.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[6-butyl-5-(3-cyano-4-cyclohexyloxyphenyl)pyridazin-3-yl]oxypiperidine-1-carboxylate
CID 67372042
tert-butyl (3S,4R)-4-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 86657787
tert-butyl 4-[4-(2-methylphenyl)-2-pyridin-2-ylphenoxy]piperidine-1-carboxylate
CID 175122139
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808
3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid
CID 130406230
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 4-(5-bromoisoquinolin-8-yl)oxypiperidine-1-carboxylate
CID 130367043
tert-butyl 4-[[2-(methylsulfonyloxymethyl)-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 164602392

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate (CID 67372546) is tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate is CCCCc1nnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(OC2CCCCC2)c(-c2ncco2)c1.
What is the InChIKey of tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate?
The InChIKey is UIZGAPCACFQIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O5/c1-5-6-12-28-26(22-30(36-35-28)41-25-15-18-37(19-16-25)32(38)42-33(2,3)4)23-13-14-29(40-24-10-8-7-9-11-24)27(21-23)31-34-17-20-39-31/h13-14,17,20-22,24-25H,5-12,15-16,18-19H2,1-4H3.
What are the key properties of tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate has a molecular weight of 576.74 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-butyl-5-[4-cyclohexyloxy-3-(1,3-oxazol-2-yl)phenyl]pyridazin-3-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 67372546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).