[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate

C22H25FN4O5 — CID 10114395

IUPAC[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccnc(COC(=O)CN(C)C)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H25FN4O5/c1-14(28)25-10-18-11-27(22(30)32-18)17-4-5-19(20(23)9-17)15-6-7-24-16(8-15)13-31-21(29)12-26(2)3/h4-9,18H,10-13H2,1-3H3,(H,25,28)/t18-/m0/s1
InChIKeyUKCJMEMMAAYKHT-SFHVURJKSA-N
MW444.46 g/mol
LogP1.95
Rot. Bonds8

About [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate

[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate (PubChem CID 10114395) has the molecular formula C22H25FN4O5 and a molecular weight of 444.46 g/mol. Its IUPAC name is [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate.

Molecular Properties

Compound Name[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate
PubChem CID10114395
Molecular FormulaC22H25FN4O5
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccnc(COC(=O)CN(C)C)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H25FN4O5/c1-14(28)25-10-18-11-27(22(30)32-18)17-4-5-19(20(23)9-17)15-6-7-24-16(8-15)13-31-21(29)12-26(2)3/h4-9,18H,10-13H2,1-3H3,(H,25,28)/t18-/m0/s1
InChIKeyUKCJMEMMAAYKHT-SFHVURJKSA-N
XLogP1.95
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate?
The IUPAC name of [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate (CID 10114395) is [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate.
What is the SMILES notation for [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate?
The canonical SMILES for [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate is CC(=O)NC[C@H]1CN(c2ccc(-c3ccnc(COC(=O)CN(C)C)c3)c(F)c2)C(=O)O1.
What is the InChIKey of [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate?
The InChIKey is UKCJMEMMAAYKHT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25FN4O5/c1-14(28)25-10-18-11-27(22(30)32-18)17-4-5-19(20(23)9-17)15-6-7-24-16(8-15)13-31-21(29)12-26(2)3/h4-9,18H,10-13H2,1-3H3,(H,25,28)/t18-/m0/s1.
What are the key properties of [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate?
[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate has a molecular weight of 444.46 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]methyl 2-(dimethylamino)acetate is sourced from PubChem (CID 10114395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).