4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide

C24H23FN6O5 — CID 6482333

IUPAC4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
SMILESCC(=O)Nc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(-n4cncn4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C24H23FN6O5/c1-15(32)29-17-4-2-16(3-5-17)22(33)8-9-23(34)27-11-19-12-30(24(35)36-19)18-6-7-21(20(25)10-18)31-14-26-13-28-31/h2-7,10,13-14,19H,8-9,11-12H2,1H3,(H,27,34)(H,29,32)/t19-/m0/s1
InChIKeyOASIUANRLDEIIA-IBGZPJMESA-N
MW494.48 g/mol
LogP2.47
Rot. Bonds9

About 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide

4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (PubChem CID 6482333) has the molecular formula C24H23FN6O5 and a molecular weight of 494.48 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
PubChem CID6482333
Molecular FormulaC24H23FN6O5
Molecular Weight494.48 g/mol
Exact Mass494.17
IUPAC Name4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
SMILESCC(=O)Nc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(-n4cncn4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C24H23FN6O5/c1-15(32)29-17-4-2-16(3-5-17)22(33)8-9-23(34)27-11-19-12-30(24(35)36-19)18-6-7-21(20(25)10-18)31-14-26-13-28-31/h2-7,10,13-14,19H,8-9,11-12H2,1H3,(H,27,34)(H,29,32)/t19-/m0/s1
InChIKeyOASIUANRLDEIIA-IBGZPJMESA-N
XLogP2.47
TPSA135.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide with MolForge

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Related Compounds

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
N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride
CID 142686777
N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamido)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10415986
5-(aminomethyl)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 22943658
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-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 6482336
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[4-[4-[[4-(dimethylamino)phenyl]carbamothioyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10436520
N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10348640
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 25118422

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (CID 6482333) is 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is CC(=O)Nc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(-n4cncn4)c(F)c3)C(=O)O2)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The InChIKey is OASIUANRLDEIIA-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23FN6O5/c1-15(32)29-17-4-2-16(3-5-17)22(33)8-9-23(34)27-11-19-12-30(24(35)36-19)18-6-7-21(20(25)10-18)31-14-26-13-28-31/h2-7,10,13-14,19H,8-9,11-12H2,1H3,(H,27,34)(H,29,32)/t19-/m0/s1.
What are the key properties of 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide has a molecular weight of 494.48 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 6482333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).