2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol

C20H19NO5 — CID 589314

IUPAC2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol
SMILESOC1C2N=C(c3ccccc3)OC2OC1C1COC(c2ccccc2)O1
InChIInChI=1S/C20H19NO5/c22-16-15-20(26-18(21-15)12-7-3-1-4-8-12)25-17(16)14-11-23-19(24-14)13-9-5-2-6-10-13/h1-10,14-17,19-20,22H,11H2
InChIKeyZWGVXMPIRITKJB-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.03
Rot. Bonds3

About 2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol

2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol (PubChem CID 589314) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol.

Molecular Properties

Compound Name2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol
PubChem CID589314
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol
SMILESOC1C2N=C(c3ccccc3)OC2OC1C1COC(c2ccccc2)O1
InChIInChI=1S/C20H19NO5/c22-16-15-20(26-18(21-15)12-7-3-1-4-8-12)25-17(16)14-11-23-19(24-14)13-9-5-2-6-10-13/h1-10,14-17,19-20,22H,11H2
InChIKeyZWGVXMPIRITKJB-UHFFFAOYSA-N
XLogP2.03
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol?
The IUPAC name of 2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol (CID 589314) is 2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol.
What is the SMILES notation for 2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol?
The canonical SMILES for 2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol is OC1C2N=C(c3ccccc3)OC2OC1C1COC(c2ccccc2)O1.
What is the InChIKey of 2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol?
The InChIKey is ZWGVXMPIRITKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c22-16-15-20(26-18(21-15)12-7-3-1-4-8-12)25-17(16)14-11-23-19(24-14)13-9-5-2-6-10-13/h1-10,14-17,19-20,22H,11H2.
What are the key properties of 2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol?
2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol has a molecular weight of 353.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2-phenyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-6-ol is sourced from PubChem (CID 589314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).