(3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide

C27H24F2N2O4 — CID 11145242

IUPAC(3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide
SMILESCN(C)C(=O)C(F)(F)[C@@H](O)[C@@H]1COC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H24F2N2O4/c1-30(2)24(33)27(28,29)23(32)22-16-35-25(34)31(22)26(17-10-4-3-5-11-17)20-14-8-6-12-18(20)19-13-7-9-15-21(19)26/h3-15,22-23,32H,16H2,1-2H3/t22-,23-/m0/s1
InChIKeyBBLVOFGMNBKJEA-GOTSBHOMSA-N
MW478.50 g/mol
LogP3.86
Rot. Bonds5

About (3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide

(3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide (PubChem CID 11145242) has the molecular formula C27H24F2N2O4 and a molecular weight of 478.50 g/mol. Its IUPAC name is (3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide.

Molecular Properties

Compound Name(3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide
PubChem CID11145242
Molecular FormulaC27H24F2N2O4
Molecular Weight478.50 g/mol
Exact Mass478.17
IUPAC Name(3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide
SMILESCN(C)C(=O)C(F)(F)[C@@H](O)[C@@H]1COC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H24F2N2O4/c1-30(2)24(33)27(28,29)23(32)22-16-35-25(34)31(22)26(17-10-4-3-5-11-17)20-14-8-6-12-18(20)19-13-7-9-15-21(19)26/h3-15,22-23,32H,16H2,1-2H3/t22-,23-/m0/s1
InChIKeyBBLVOFGMNBKJEA-GOTSBHOMSA-N
XLogP3.86
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide?
The IUPAC name of (3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide (CID 11145242) is (3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide.
What is the SMILES notation for (3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide?
The canonical SMILES for (3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide is CN(C)C(=O)C(F)(F)[C@@H](O)[C@@H]1COC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of (3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide?
The InChIKey is BBLVOFGMNBKJEA-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H24F2N2O4/c1-30(2)24(33)27(28,29)23(32)22-16-35-25(34)31(22)26(17-10-4-3-5-11-17)20-14-8-6-12-18(20)19-13-7-9-15-21(19)26/h3-15,22-23,32H,16H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of (3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide?
(3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide has a molecular weight of 478.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-difluoro-3-hydroxy-N,N-dimethyl-3-[(4S)-2-oxo-3-(9-phenylfluoren-9-yl)-1,3-oxazolidin-4-yl]propanamide is sourced from PubChem (CID 11145242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).