N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide

C24H26FN3O4 — CID 68674342

IUPACN-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NC[C@H]1CN(c2cccc(F)c2C2CCNC2)C(=O)O1
InChIInChI=1S/C24H26FN3O4/c25-19-7-4-8-20(23(19)17-11-12-26-13-17)28-15-18(32-24(28)31)14-27-22(30)10-9-21(29)16-5-2-1-3-6-16/h1-8,17-18,26H,9-15H2,(H,27,30)/t17?,18-/m0/s1
InChIKeyXUQNUGWFRFQKKQ-ZVAWYAOSSA-N
MW439.49 g/mol
LogP3.01
Rot. Bonds8

About N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide

N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide (PubChem CID 68674342) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
PubChem CID68674342
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC NameN-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NC[C@H]1CN(c2cccc(F)c2C2CCNC2)C(=O)O1
InChIInChI=1S/C24H26FN3O4/c25-19-7-4-8-20(23(19)17-11-12-26-13-17)28-15-18(32-24(28)31)14-27-22(30)10-9-21(29)16-5-2-1-3-6-16/h1-8,17-18,26H,9-15H2,(H,27,30)/t17?,18-/m0/s1
InChIKeyXUQNUGWFRFQKKQ-ZVAWYAOSSA-N
XLogP3.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
CID 68675773
N-[[(5S)-3-(3-fluoro-2-piperidin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 68674439
4-(4-acetamidophenyl)-N-[[(5S)-3-[2-(3-fluoropiperidin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
CID 68676321
4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide
CID 110632616
N-[[3-(3-fluoro-2-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-1-yl-4-oxobutanamide
CID 90830420
N-[[3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 20842786
4-(2,4-dimethylphenyl)-N-[[3-(3-fluoro-2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
CID 68676533
N-[[3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-[4-(sulfanylmethyl)phenyl]butanamide
CID 85097039
N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 6482331
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440
2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920792

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide (CID 68674342) is N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)NC[C@H]1CN(c2cccc(F)c2C2CCNC2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is XUQNUGWFRFQKKQ-ZVAWYAOSSA-N. The full InChI is InChI=1S/C24H26FN3O4/c25-19-7-4-8-20(23(19)17-11-12-26-13-17)28-15-18(32-24(28)31)14-27-22(30)10-9-21(29)16-5-2-1-3-6-16/h1-8,17-18,26H,9-15H2,(H,27,30)/t17?,18-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide?
N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 439.49 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-fluoro-2-pyrrolidin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 68674342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).