4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole

C24H28N2O3 — CID 47053220

IUPAC4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole
SMILESCOc1ccc(C2CCCN2Cc2coc(-c3ccc(C)cc3C)n2)cc1OC
InChIInChI=1S/C24H28N2O3/c1-16-7-9-20(17(2)12-16)24-25-19(15-29-24)14-26-11-5-6-21(26)18-8-10-22(27-3)23(13-18)28-4/h7-10,12-13,15,21H,5-6,11,14H2,1-4H3
InChIKeyZWORLAZMEKZNTP-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.31
Rot. Bonds6

About 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole

4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole (PubChem CID 47053220) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole
PubChem CID47053220
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole
SMILESCOc1ccc(C2CCCN2Cc2coc(-c3ccc(C)cc3C)n2)cc1OC
InChIInChI=1S/C24H28N2O3/c1-16-7-9-20(17(2)12-16)24-25-19(15-29-24)14-26-11-5-6-21(26)18-8-10-22(27-3)23(13-18)28-4/h7-10,12-13,15,21H,5-6,11,14H2,1-4H3
InChIKeyZWORLAZMEKZNTP-UHFFFAOYSA-N
XLogP5.31
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole?
The IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole (CID 47053220) is 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole is COc1ccc(C2CCCN2Cc2coc(-c3ccc(C)cc3C)n2)cc1OC.
What is the InChIKey of 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole?
The InChIKey is ZWORLAZMEKZNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-7-9-20(17(2)12-16)24-25-19(15-29-24)14-26-11-5-6-21(26)18-8-10-22(27-3)23(13-18)28-4/h7-10,12-13,15,21H,5-6,11,14H2,1-4H3.
What are the key properties of 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole?
4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole has a molecular weight of 392.50 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole is sourced from PubChem (CID 47053220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).