[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C21H26N2O5 — CID 7401458

IUPAC[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)Cn2c(=O)oc3ccccc32)C1
InChIInChI=1S/C21H26N2O5/c1-20(2)8-14-9-21(3,12-20)13-23(14)17(24)11-27-18(25)10-22-15-6-4-5-7-16(15)28-19(22)26/h4-7,14H,8-13H2,1-3H3/t14-,21-/m1/s1
InChIKeyPIXRJNSMEHTFND-SPLOXXLWSA-N
MW386.45 g/mol
LogP2.56
Rot. Bonds4

About [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 7401458) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID7401458
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)Cn2c(=O)oc3ccccc32)C1
InChIInChI=1S/C21H26N2O5/c1-20(2)8-14-9-21(3,12-20)13-23(14)17(24)11-27-18(25)10-22-15-6-4-5-7-16(15)28-19(22)26/h4-7,14H,8-13H2,1-3H3/t14-,21-/m1/s1
InChIKeyPIXRJNSMEHTFND-SPLOXXLWSA-N
XLogP2.56
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate 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 [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 7401458) is [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)Cn2c(=O)oc3ccccc32)C1.
What is the InChIKey of [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is PIXRJNSMEHTFND-SPLOXXLWSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-20(2)8-14-9-21(3,12-20)13-23(14)17(24)11-27-18(25)10-22-15-6-4-5-7-16(15)28-19(22)26/h4-7,14H,8-13H2,1-3H3/t14-,21-/m1/s1.
What are the key properties of [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 386.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 7401458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).