3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one

C18H22N2O4 — CID 167642530

IUPAC3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C[C@@H](N2CCOC2=O)[C@H](OCc2cccc(C)c2)C1
InChIInChI=1S/C18H22N2O4/c1-3-17(21)19-10-15(20-7-8-23-18(20)22)16(11-19)24-12-14-6-4-5-13(2)9-14/h3-6,9,15-16H,1,7-8,10-12H2,2H3/t15-,16-/m1/s1
InChIKeyMEAAWABSDVUUQK-HZPDHXFCSA-N
MW330.38 g/mol
LogP1.73
Rot. Bonds5

About 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one

3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 167642530) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID167642530
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C[C@@H](N2CCOC2=O)[C@H](OCc2cccc(C)c2)C1
InChIInChI=1S/C18H22N2O4/c1-3-17(21)19-10-15(20-7-8-23-18(20)22)16(11-19)24-12-14-6-4-5-13(2)9-14/h3-6,9,15-16H,1,7-8,10-12H2,2H3/t15-,16-/m1/s1
InChIKeyMEAAWABSDVUUQK-HZPDHXFCSA-N
XLogP1.73
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R,4R)-3-[4-(hydroxymethyl)triazol-1-yl]-4-[(3-methylphenyl)methoxy]pyrrolidin-1-yl]prop-2-en-1-one
CID 167642532
1-methyl-N-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 167569674
N-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]pyridine-3-sulfonamide
CID 167569670
1-[(3R,4R)-3-[(3-chloro-5-methylphenyl)methoxy]-4-pyrazol-1-ylpyrrolidin-1-yl]prop-2-en-1-one
CID 167534117
1-[(3R,4R)-1-prop-2-enoyl-4-[[3-(trifluoromethyl)phenyl]methoxy]pyrrolidin-3-yl]pyrazole-3-carbonitrile
CID 166100734
1-[(3R,4R)-3-[(5-methyl-1,3-benzothiazol-2-yl)methoxy]-4-pyrazol-1-ylpyrrolidin-1-yl]prop-2-en-1-one
CID 167534119
(3-methylphenyl)methyl 4-(2,2-dimethoxyethyl)piperidine-1-carboxylate
CID 167470382
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 46998798
2-[(3-methylphenyl)methoxy]-1-morpholin-4-ylethanone
CID 173269942
1,3-benzodioxol-5-yl-[(3S)-3-[(3-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223383
2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane
CID 70384247
6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one
CID 129410643

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 167642530) is 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one is C=CC(=O)N1C[C@@H](N2CCOC2=O)[C@H](OCc2cccc(C)c2)C1.
What is the InChIKey of 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is MEAAWABSDVUUQK-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-17(21)19-10-15(20-7-8-23-18(20)22)16(11-19)24-12-14-6-4-5-13(2)9-14/h3-6,9,15-16H,1,7-8,10-12H2,2H3/t15-,16-/m1/s1.
What are the key properties of 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one?
3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 330.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-4-[(3-methylphenyl)methoxy]-1-prop-2-enoylpyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167642530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).