[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate

C26H23FN2O5 — CID 164619260

IUPAC[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(COC(=O)c4ccccc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H23FN2O5/c1-17(30)28-14-22-15-29(26(32)34-22)21-11-12-23(24(27)13-21)19-9-7-18(8-10-19)16-33-25(31)20-5-3-2-4-6-20/h2-13,22H,14-16H2,1H3,(H,28,30)
InChIKeyJDTFHHPVHHXUDM-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.31
Rot. Bonds7

About [4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate

[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate (PubChem CID 164619260) has the molecular formula C26H23FN2O5 and a molecular weight of 462.48 g/mol. Its IUPAC name is [4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate.

Molecular Properties

Compound Name[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate
PubChem CID164619260
Molecular FormulaC26H23FN2O5
Molecular Weight462.48 g/mol
Exact Mass462.16
IUPAC Name[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(COC(=O)c4ccccc4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H23FN2O5/c1-17(30)28-14-22-15-29(26(32)34-22)21-11-12-23(24(27)13-21)19-9-7-18(8-10-19)16-33-25(31)20-5-3-2-4-6-20/h2-13,22H,14-16H2,1H3,(H,28,30)
InChIKeyJDTFHHPVHHXUDM-UHFFFAOYSA-N
XLogP4.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-(hydroxymethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 60045898
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CID 4027768
4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239574
Ethyl 4-{[4-(4-morpholinylmethyl)benzoyl]amino}benzoate
CID 1257531
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CID 7491262
[2-(2,6-Dimethylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7491265
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 9118247
Ethyl 3-[3-(4-fluorophenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)propanamido]benzoate
CID 16022496
Methyl 4-({3-[(4-isopropylphenyl)amino]-1-piperidinyl}carbonyl)benzoate
CID 24791203
methyl 4-[(2S,4R)-1-acetyl-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoate
CID 118719867
ethyl 4-[4-[[(2S,3S)-2-amino-3-methylpentyl]-[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]phenyl]benzoate
CID 118727685
[3-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylcarbamoyl]phenyl]boronic acid
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Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate?
The IUPAC name of [4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate (CID 164619260) is [4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate.
What is the SMILES notation for [4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate?
The canonical SMILES for [4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate is CC(=O)NCC1CN(c2ccc(-c3ccc(COC(=O)c4ccccc4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of [4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate?
The InChIKey is JDTFHHPVHHXUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5/c1-17(30)28-14-22-15-29(26(32)34-22)21-11-12-23(24(27)13-21)19-9-7-18(8-10-19)16-33-25(31)20-5-3-2-4-6-20/h2-13,22H,14-16H2,1H3,(H,28,30).
What are the key properties of [4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate?
[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate has a molecular weight of 462.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl benzoate is sourced from PubChem (CID 164619260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).