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

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Related Compounds

3-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 71867470
3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95212687
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride
CID 119927525
N-ethyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 81178472
N-(2-methoxyphenyl)-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 71973092
N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 81177841
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1,2-oxazol-3-ylmethyl)piperidin-3-amine
CID 28734481
2-[3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 71923204
3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81173891
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 75449607
2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine
CID 135105893
3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 166211745

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).