3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C21H20N2O4 — CID 100727831

IUPAC3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C21H20N2O4/c24-18-14-27-21(26)23(18)17-11-12-22(13-17)20(25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2/t17-/m1/s1
InChIKeyVZYWXUMFVWGJCV-QGZVFWFLSA-N
MW364.40 g/mol
LogP2.40
Rot. Bonds4

About 3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 100727831) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID100727831
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C21H20N2O4/c24-18-14-27-21(26)23(18)17-11-12-22(13-17)20(25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2/t17-/m1/s1
InChIKeyVZYWXUMFVWGJCV-QGZVFWFLSA-N
XLogP2.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726928
3-[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726885
3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 124850656
3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727451
3-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726702
3-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727966
3-[(3R)-1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728081
2,2-diphenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2910235
3-[(3R)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727385
3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727878
3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814941
3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728419

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 100727831) is 3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is VZYWXUMFVWGJCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-18-14-27-21(26)23(18)17-11-12-22(13-17)20(25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2/t17-/m1/s1.
What are the key properties of 3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 364.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100727831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).