(2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one

C19H19F2NO2 — CID 150193108

IUPAC(2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one
SMILESC[C@H](C(=O)N1COC[C@@H]1Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H19F2NO2/c1-13(17-8-7-15(20)10-18(17)21)19(23)22-12-24-11-16(22)9-14-5-3-2-4-6-14/h2-8,10,13,16H,9,11-12H2,1H3/t13-,16-/m0/s1
InChIKeyFNWAZHKYBJABEU-BBRMVZONSA-N
MW331.36 g/mol
LogP3.50
Rot. Bonds4

About (2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one

(2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one (PubChem CID 150193108) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is (2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one
PubChem CID150193108
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name(2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one
SMILESC[C@H](C(=O)N1COC[C@@H]1Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H19F2NO2/c1-13(17-8-7-15(20)10-18(17)21)19(23)22-12-24-11-16(22)9-14-5-3-2-4-6-14/h2-8,10,13,16H,9,11-12H2,1H3/t13-,16-/m0/s1
InChIKeyFNWAZHKYBJABEU-BBRMVZONSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one?
The IUPAC name of (2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one (CID 150193108) is (2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one.
What is the SMILES notation for (2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one?
The canonical SMILES for (2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one is C[C@H](C(=O)N1COC[C@@H]1Cc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of (2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one?
The InChIKey is FNWAZHKYBJABEU-BBRMVZONSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-13(17-8-7-15(20)10-18(17)21)19(23)22-12-24-11-16(22)9-14-5-3-2-4-6-14/h2-8,10,13,16H,9,11-12H2,1H3/t13-,16-/m0/s1.
What are the key properties of (2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one?
(2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one has a molecular weight of 331.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 150193108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).