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

C26H28FN5O4 — CID 20842805

IUPACN-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(-c4ncn[nH]4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C26H28FN5O4/c1-16(2)11-17-3-5-18(6-4-17)23(33)9-10-24(34)28-13-20-14-32(26(35)36-20)19-7-8-21(22(27)12-19)25-29-15-30-31-25/h3-8,12,15-16,20H,9-11,13-14H2,1-2H3,(H,28,34)(H,29,30,31)/t20-/m0/s1
InChIKeyQUEKBUGYKJWKGP-FQEVSTJZSA-N
MW493.54 g/mol
LogP3.91
Rot. Bonds10

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

N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide (PubChem CID 20842805) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
PubChem CID20842805
Molecular FormulaC26H28FN5O4
Molecular Weight493.54 g/mol
Exact Mass493.21
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(-c4ncn[nH]4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C26H28FN5O4/c1-16(2)11-17-3-5-18(6-4-17)23(33)9-10-24(34)28-13-20-14-32(26(35)36-20)19-7-8-21(22(27)12-19)25-29-15-30-31-25/h3-8,12,15-16,20H,9-11,13-14H2,1-2H3,(H,28,34)(H,29,30,31)/t20-/m0/s1
InChIKeyQUEKBUGYKJWKGP-FQEVSTJZSA-N
XLogP3.91
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-[[3-(3-fluoro-4-morpholin-2-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 20842786
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-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-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
CID 6482333
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045463
tert-butyl N-[[(5S)-3-[4-[2-[[4-[4-(aminomethyl)phenyl]-4-oxobutanoyl]amino]ethylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 142898133
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215
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-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-aminopropanamide
CID 11247379
N-[[(5S)-3-[3-fluoro-4-[4-[[[(1R)-1-(2H-triazol-4-yl)ethyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66885183
N-[[(5S)-3-[3-fluoro-4-[4-[3-sulfanylidene-3-(1H-1,2,4-triazol-5-yl)propanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 10255606

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide (CID 20842805) is N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide is CC(C)Cc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(-c4ncn[nH]4)c(F)c3)C(=O)O2)cc1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
The InChIKey is QUEKBUGYKJWKGP-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-16(2)11-17-3-5-18(6-4-17)23(33)9-10-24(34)28-13-20-14-32(26(35)36-20)19-7-8-21(22(27)12-19)25-29-15-30-31-25/h3-8,12,15-16,20H,9-11,13-14H2,1-2H3,(H,28,34)(H,29,30,31)/t20-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide has a molecular weight of 493.54 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 20842805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).