(3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol

C28H26N2O2 — CID 23138799

IUPAC(3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol
SMILESOC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C/C1=C\c1ccno1
InChIInChI=1S/C28H26N2O2/c31-27-17-19-30(21-22(27)20-26-16-18-29-32-26)28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,18,20,27,31H,17,19,21H2/b22-20+
InChIKeyDVNBIXDLWRFNST-LSDHQDQOSA-N
MW422.53 g/mol
LogP5.12
Rot. Bonds5

About (3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol

(3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol (PubChem CID 23138799) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol.

Molecular Properties

Compound Name(3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol
PubChem CID23138799
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name(3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol
SMILESOC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C/C1=C\c1ccno1
InChIInChI=1S/C28H26N2O2/c31-27-17-19-30(21-22(27)20-26-16-18-29-32-26)28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,18,20,27,31H,17,19,21H2/b22-20+
InChIKeyDVNBIXDLWRFNST-LSDHQDQOSA-N
XLogP5.12
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol?
The IUPAC name of (3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol (CID 23138799) is (3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol.
What is the SMILES notation for (3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol?
The canonical SMILES for (3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol is OC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C/C1=C\c1ccno1.
What is the InChIKey of (3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol?
The InChIKey is DVNBIXDLWRFNST-LSDHQDQOSA-N. The full InChI is InChI=1S/C28H26N2O2/c31-27-17-19-30(21-22(27)20-26-16-18-29-32-26)28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,18,20,27,31H,17,19,21H2/b22-20+.
What are the key properties of (3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol?
(3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol has a molecular weight of 422.53 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1,2-oxazol-5-ylmethylidene)-1-tritylpiperidin-4-ol is sourced from PubChem (CID 23138799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).