1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone

C23H24N2O4 — CID 42887096

IUPAC1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCOc1ccc(C2CCCN2C(=O)Cc2coc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C23H24N2O4/c1-27-20-11-10-17(13-21(20)28-2)19-9-6-12-25(19)22(26)14-18-15-29-23(24-18)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19H,6,9,12,14H2,1-2H3
InChIKeyIASOJKMPKLGEDE-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.26
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone

1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone (PubChem CID 42887096) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
PubChem CID42887096
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCOc1ccc(C2CCCN2C(=O)Cc2coc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C23H24N2O4/c1-27-20-11-10-17(13-21(20)28-2)19-9-6-12-25(19)22(26)14-18-15-29-23(24-18)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19H,6,9,12,14H2,1-2H3
InChIKeyIASOJKMPKLGEDE-UHFFFAOYSA-N
XLogP4.26
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 33225688
1-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 33225684
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 42936298
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 18147717
4-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 51934772
1-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
CID 30146061
N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 31060671
2-(benzhydrylamino)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 78841057
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 34737061
2-(3,4-dimethoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125125950
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 46975041
1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 51600193

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone (CID 42887096) is 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone is COc1ccc(C2CCCN2C(=O)Cc2coc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is IASOJKMPKLGEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-27-20-11-10-17(13-21(20)28-2)19-9-6-12-25(19)22(26)14-18-15-29-23(24-18)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19H,6,9,12,14H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone?
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 392.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 42887096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).