1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol

C34H36N2O4 — CID 67754870

IUPAC1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
SMILESCOCc1cc(/C=C/c2ccccc2OC(C(C)O)N2CC3C(C2)C(c2ccccc2)C3c2ccccc2)on1
InChIInChI=1S/C34H36N2O4/c1-23(37)34(39-31-16-10-9-11-24(31)17-18-28-19-27(22-38-2)35-40-28)36-20-29-30(21-36)33(26-14-7-4-8-15-26)32(29)25-12-5-3-6-13-25/h3-19,23,29-30,32-34,37H,20-22H2,1-2H3/b18-17+
InChIKeyOTXJOYIKXUZNKW-ISLYRVAYSA-N
MW536.67 g/mol
LogP6.21
Rot. Bonds10

About 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol

1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol (PubChem CID 67754870) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
PubChem CID67754870
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC Name1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol
SMILESCOCc1cc(/C=C/c2ccccc2OC(C(C)O)N2CC3C(C2)C(c2ccccc2)C3c2ccccc2)on1
InChIInChI=1S/C34H36N2O4/c1-23(37)34(39-31-16-10-9-11-24(31)17-18-28-19-27(22-38-2)35-40-28)36-20-29-30(21-36)33(26-14-7-4-8-15-26)32(29)25-12-5-3-6-13-25/h3-19,23,29-30,32-34,37H,20-22H2,1-2H3/b18-17+
InChIKeyOTXJOYIKXUZNKW-ISLYRVAYSA-N
XLogP6.21
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol (CID 67754870) is 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol is COCc1cc(/C=C/c2ccccc2OC(C(C)O)N2CC3C(C2)C(c2ccccc2)C3c2ccccc2)on1.
What is the InChIKey of 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
The InChIKey is OTXJOYIKXUZNKW-ISLYRVAYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-23(37)34(39-31-16-10-9-11-24(31)17-18-28-19-27(22-38-2)35-40-28)36-20-29-30(21-36)33(26-14-7-4-8-15-26)32(29)25-12-5-3-6-13-25/h3-19,23,29-30,32-34,37H,20-22H2,1-2H3/b18-17+.
What are the key properties of 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol?
1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol has a molecular weight of 536.67 g/mol, XLogP of 6.21, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-diphenyl-3-azabicyclo[3.2.0]heptan-3-yl)-1-[2-[(E)-2-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 67754870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).