[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

C15H22N2O3S — CID 98886710

IUPAC[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C([C@@H]1CSCN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2)N1CCCC1
InChIInChI=1S/C15H22N2O3S/c18-14(11-7-10-3-4-13(11)20-10)17-9-21-8-12(17)15(19)16-5-1-2-6-16/h10-13H,1-9H2/t10-,11+,12+,13-/m1/s1
InChIKeyUVZMJZJBXBHKFJ-MROQNXINSA-N
MW310.42 g/mol
LogP1.08
Rot. Bonds2

About [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 98886710) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID98886710
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C([C@@H]1CSCN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2)N1CCCC1
InChIInChI=1S/C15H22N2O3S/c18-14(11-7-10-3-4-13(11)20-10)17-9-21-8-12(17)15(19)16-5-1-2-6-16/h10-13H,1-9H2/t10-,11+,12+,13-/m1/s1
InChIKeyUVZMJZJBXBHKFJ-MROQNXINSA-N
XLogP1.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone 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 [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone (CID 98886710) is [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone is O=C([C@@H]1CSCN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2)N1CCCC1.
What is the InChIKey of [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is UVZMJZJBXBHKFJ-MROQNXINSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-14(11-7-10-3-4-13(11)20-10)17-9-21-8-12(17)15(19)16-5-1-2-6-16/h10-13H,1-9H2/t10-,11+,12+,13-/m1/s1.
What are the key properties of [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 310.42 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 98886710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).