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

C19H26N2O4 — CID 59731869

IUPACtert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2(O)CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C19H26N2O4/c1-18(2,3)24-17(22)21-11-9-15(10-12-21)19(23)13-16(20-25-19)14-7-5-4-6-8-14/h4-8,15,23H,9-13H2,1-3H3
InChIKeyYEEWIKLRYGVFRA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.15
Rot. Bonds2

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

tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate (PubChem CID 59731869) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate
PubChem CID59731869
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2(O)CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C19H26N2O4/c1-18(2,3)24-17(22)21-11-9-15(10-12-21)19(23)13-16(20-25-19)14-7-5-4-6-8-14/h4-8,15,23H,9-13H2,1-3H3
InChIKeyYEEWIKLRYGVFRA-UHFFFAOYSA-N
XLogP3.15
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate (CID 59731869) is tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2(O)CC(c3ccccc3)=NO2)CC1.
What is the InChIKey of tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate?
The InChIKey is YEEWIKLRYGVFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-18(2,3)24-17(22)21-11-9-15(10-12-21)19(23)13-16(20-25-19)14-7-5-4-6-8-14/h4-8,15,23H,9-13H2,1-3H3.
What are the key properties of tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59731869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).