2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole

C20H23N3O — CID 95153292

IUPAC2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc[nH]3)co2)c(C)c1
InChIInChI=1S/C20H23N3O/c1-14-7-8-17(15(2)11-14)20-22-16(13-24-20)12-23-10-4-6-19(23)18-5-3-9-21-18/h3,5,7-9,11,13,19,21H,4,6,10,12H2,1-2H3/t19-/m1/s1
InChIKeyYWNJZQUCXXOBBG-LJQANCHMSA-N
MW321.42 g/mol
LogP4.62
Rot. Bonds4

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

2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 95153292) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID95153292
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc[nH]3)co2)c(C)c1
InChIInChI=1S/C20H23N3O/c1-14-7-8-17(15(2)11-14)20-22-16(13-24-20)12-23-10-4-6-19(23)18-5-3-9-21-18/h3,5,7-9,11,13,19,21H,4,6,10,12H2,1-2H3/t19-/m1/s1
InChIKeyYWNJZQUCXXOBBG-LJQANCHMSA-N
XLogP4.62
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(2,4-dimethylphenyl)-1,3-oxazole
CID 47053220
4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 51076546
4-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 51934772
2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95899798
4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 86953301
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
2-(4-fluorophenyl)-4-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 94136515
4-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74249790
methyl 2-methyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 78900937
1-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]benzo[cd]indol-2-one
CID 36543545
5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 42946045
2-(4-fluorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 31811934

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 95153292) is 2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole is Cc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc[nH]3)co2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is YWNJZQUCXXOBBG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-7-8-17(15(2)11-14)20-22-16(13-24-20)12-23-10-4-6-19(23)18-5-3-9-21-18/h3,5,7-9,11,13,19,21H,4,6,10,12H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 321.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95153292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).