3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one

C20H18F2N2O3 — CID 171770700

IUPAC3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@H]1CN(c2ccccc2)C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N2O3/c21-13-6-7-15(18(22)10-13)16-11-23(14-4-2-1-3-5-14)12-17(16)19(25)24-8-9-27-20(24)26/h1-7,10,16-17H,8-9,11-12H2/t16-,17+/m1/s1
InChIKeyNCKBZDQNXLGHHP-SJORKVTESA-N
MW372.37 g/mol
LogP3.16
Rot. Bonds3

About 3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one

3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 171770700) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID171770700
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@H]1CN(c2ccccc2)C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N2O3/c21-13-6-7-15(18(22)10-13)16-11-23(14-4-2-1-3-5-14)12-17(16)19(25)24-8-9-27-20(24)26/h1-7,10,16-17H,8-9,11-12H2/t16-,17+/m1/s1
InChIKeyNCKBZDQNXLGHHP-SJORKVTESA-N
XLogP3.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one (CID 171770700) is 3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@H]1CN(c2ccccc2)C[C@@H]1c1ccc(F)cc1F.
What is the InChIKey of 3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is NCKBZDQNXLGHHP-SJORKVTESA-N. The full InChI is InChI=1S/C20H18F2N2O3/c21-13-6-7-15(18(22)10-13)16-11-23(14-4-2-1-3-5-14)12-17(16)19(25)24-8-9-27-20(24)26/h1-7,10,16-17H,8-9,11-12H2/t16-,17+/m1/s1.
What are the key properties of 3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 372.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171770700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).