3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C20H26N2O4 — CID 145135094

IUPAC3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=C1CC(C(O)C(C)C(=O)N2C(=O)OC(c3ccccc3)C2C)N(C)C1
InChIInChI=1S/C20H26N2O4/c1-12-10-16(21(4)11-12)17(23)13(2)19(24)22-14(3)18(26-20(22)25)15-8-6-5-7-9-15/h5-9,13-14,16-18,23H,1,10-11H2,2-4H3
InChIKeyCKAYLHHSYHAPOA-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.35
Rot. Bonds4

About 3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 145135094) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID145135094
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC=C1CC(C(O)C(C)C(=O)N2C(=O)OC(c3ccccc3)C2C)N(C)C1
InChIInChI=1S/C20H26N2O4/c1-12-10-16(21(4)11-12)17(23)13(2)19(24)22-14(3)18(26-20(22)25)15-8-6-5-7-9-15/h5-9,13-14,16-18,23H,1,10-11H2,2-4H3
InChIKeyCKAYLHHSYHAPOA-UHFFFAOYSA-N
XLogP2.35
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
tert-butyl 2-[1-hydroxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]pyrrolidine-1-carboxylate
CID 85314624
tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 130377218
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
(4R,5S)-4-methyl-3-[(2S)-2-phenoxypropanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 139070120
(4S,5R)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135055387
(4R,5S)-3-[(2R)-2-hydroxypent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 13461729
(4R,5S)-3-[(2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11176533
(4R,5S)-4-methyl-5-phenyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 10944289
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112
(4R,5S)-3-[(2S,3R)-3-fluoro-2-methylhexadecanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 16720436
tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate
CID 163522562

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 145135094) is 3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C=C1CC(C(O)C(C)C(=O)N2C(=O)OC(c3ccccc3)C2C)N(C)C1.
What is the InChIKey of 3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CKAYLHHSYHAPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-12-10-16(21(4)11-12)17(23)13(2)19(24)22-14(3)18(26-20(22)25)15-8-6-5-7-9-15/h5-9,13-14,16-18,23H,1,10-11H2,2-4H3.
What are the key properties of 3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 358.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 145135094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).