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

C24H24FN5O4 — CID 20842803

IUPAC4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(-c4ncn[nH]4)c(F)c3)C(=O)O2)c(C)c1
InChIInChI=1S/C24H24FN5O4/c1-14-3-5-18(15(2)9-14)21(31)7-8-22(32)26-11-17-12-30(24(33)34-17)16-4-6-19(20(25)10-16)23-27-13-28-29-23/h3-6,9-10,13,17H,7-8,11-12H2,1-2H3,(H,26,32)(H,27,28,29)/t17-/m0/s1
InChIKeyNPHORFNKMVAUGL-KRWDZBQOSA-N
MW465.49 g/mol
LogP3.33
Rot. Bonds8

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

4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (PubChem CID 20842803) has the molecular formula C24H24FN5O4 and a molecular weight of 465.49 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
PubChem CID20842803
Molecular FormulaC24H24FN5O4
Molecular Weight465.49 g/mol
Exact Mass465.18
IUPAC Name4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(-c4ncn[nH]4)c(F)c3)C(=O)O2)c(C)c1
InChIInChI=1S/C24H24FN5O4/c1-14-3-5-18(15(2)9-14)21(31)7-8-22(32)26-11-17-12-30(24(33)34-17)16-4-6-19(20(25)10-16)23-27-13-28-29-23/h3-6,9-10,13,17H,7-8,11-12H2,1-2H3,(H,26,32)(H,27,28,29)/t17-/m0/s1
InChIKeyNPHORFNKMVAUGL-KRWDZBQOSA-N
XLogP3.33
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide (CID 20842803) is 4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NC[C@H]2CN(c3ccc(-c4ncn[nH]4)c(F)c3)C(=O)O2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
The InChIKey is NPHORFNKMVAUGL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24FN5O4/c1-14-3-5-18(15(2)9-14)21(31)7-8-22(32)26-11-17-12-30(24(33)34-17)16-4-6-19(20(25)10-16)23-27-13-28-29-23/h3-6,9-10,13,17H,7-8,11-12H2,1-2H3,(H,26,32)(H,27,28,29)/t17-/m0/s1.
What are the key properties of 4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide?
4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide has a molecular weight of 465.49 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 20842803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).