3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole

C16H20N2O3 — CID 96925768

IUPAC3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCOc1cc(OC)cc([C@H]2CCN(Cc3ccon3)C2)c1
InChIInChI=1S/C16H20N2O3/c1-19-15-7-13(8-16(9-15)20-2)12-3-5-18(10-12)11-14-4-6-21-17-14/h4,6-9,12H,3,5,10-11H2,1-2H3/t12-/m0/s1
InChIKeyZNHJZHXEWZYSKO-LBPRGKRZSA-N
MW288.35 g/mol
LogP2.68
Rot. Bonds5

About 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole

3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 96925768) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID96925768
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCOc1cc(OC)cc([C@H]2CCN(Cc3ccon3)C2)c1
InChIInChI=1S/C16H20N2O3/c1-19-15-7-13(8-16(9-15)20-2)12-3-5-18(10-12)11-14-4-6-21-17-14/h4,6-9,12H,3,5,10-11H2,1-2H3/t12-/m0/s1
InChIKeyZNHJZHXEWZYSKO-LBPRGKRZSA-N
XLogP2.68
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole 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 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole (CID 96925768) is 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole is COc1cc(OC)cc([C@H]2CCN(Cc3ccon3)C2)c1.
What is the InChIKey of 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is ZNHJZHXEWZYSKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-15-7-13(8-16(9-15)20-2)12-3-5-18(10-12)11-14-4-6-21-17-14/h4,6-9,12H,3,5,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 288.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 96925768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).