1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone

C17H23N3O3 — CID 136512574

IUPAC1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
SMILESCc1cc(-n2c(C)cc(C(=O)CN3CCC(C)(O)C3)c2C)no1
InChIInChI=1S/C17H23N3O3/c1-11-7-14(13(3)20(11)16-8-12(2)23-18-16)15(21)9-19-6-5-17(4,22)10-19/h7-8,22H,5-6,9-10H2,1-4H3
InChIKeyRGXIQZJOTGRPTA-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.03
Rot. Bonds4

About 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone

1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone (PubChem CID 136512574) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
PubChem CID136512574
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
SMILESCc1cc(-n2c(C)cc(C(=O)CN3CCC(C)(O)C3)c2C)no1
InChIInChI=1S/C17H23N3O3/c1-11-7-14(13(3)20(11)16-8-12(2)23-18-16)15(21)9-19-6-5-17(4,22)10-19/h7-8,22H,5-6,9-10H2,1-4H3
InChIKeyRGXIQZJOTGRPTA-UHFFFAOYSA-N
XLogP2.03
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819803
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 8621485
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
CID 37408150
3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42979901
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
CID 34915759
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7463430
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626615
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-3-methylurea
CID 53498550
[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone
CID 99808864
(3R)-3'-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9268238
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
CID 2472039
ethyl 2-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]sulfanylacetate
CID 51072841

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone (CID 136512574) is 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone is Cc1cc(-n2c(C)cc(C(=O)CN3CCC(C)(O)C3)c2C)no1.
What is the InChIKey of 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is RGXIQZJOTGRPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-7-14(13(3)20(11)16-8-12(2)23-18-16)15(21)9-19-6-5-17(4,22)10-19/h7-8,22H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 317.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 136512574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).