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

C26H30N2O5 — CID 54505547

IUPACtert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(OCc3cc(-c4ccccc4)no3)cc2)C(O)C1
InChIInChI=1S/C26H30N2O5/c1-26(2,3)32-25(30)28-14-13-22(24(29)16-28)18-9-11-20(12-10-18)31-17-21-15-23(27-33-21)19-7-5-4-6-8-19/h4-12,15,22,24,29H,13-14,16-17H2,1-3H3
InChIKeyYFKMHCKPNHWJOK-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.01
Rot. Bonds5

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

tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate (PubChem CID 54505547) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate
PubChem CID54505547
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Nametert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(OCc3cc(-c4ccccc4)no3)cc2)C(O)C1
InChIInChI=1S/C26H30N2O5/c1-26(2,3)32-25(30)28-14-13-22(24(29)16-28)18-9-11-20(12-10-18)31-17-21-15-23(27-33-21)19-7-5-4-6-8-19/h4-12,15,22,24,29H,13-14,16-17H2,1-3H3
InChIKeyYFKMHCKPNHWJOK-UHFFFAOYSA-N
XLogP5.01
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3R,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 52910991
tert-butyl (3S,4S)-4-(4-ethoxyphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566636
tert-butyl 3-hydroxy-4-[4-(oxiran-2-ylmethoxy)phenyl]piperidine-1-carboxylate
CID 139787582
tert-butyl (3R,4R)-3-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carboxylate
CID 58298357
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
tert-butyl 4-(3,4-difluorophenyl)-3-hydroxypiperidine-1-carboxylate
CID 54596037
tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 59674744
tert-butyl 4-[2-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56514659
[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
CID 46893513
tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
CID 124564337
tert-butyl (3S,4S)-4-(3,5-dimethylphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566713

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate (CID 54505547) is tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(OCc3cc(-c4ccccc4)no3)cc2)C(O)C1.
What is the InChIKey of tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate?
The InChIKey is YFKMHCKPNHWJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-26(2,3)32-25(30)28-14-13-22(24(29)16-28)18-9-11-20(12-10-18)31-17-21-15-23(27-33-21)19-7-5-4-6-8-19/h4-12,15,22,24,29H,13-14,16-17H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate?
tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate has a molecular weight of 450.54 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-4-[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 54505547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).