6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid

C20H17FN4O5 — CID 58239145

IUPAC6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3cc(C(=O)O)c4nccn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17FN4O5/c1-11(26)23-8-14-10-25(20(29)30-14)13-2-3-15(17(21)7-13)12-6-16(19(27)28)18-22-4-5-24(18)9-12/h2-7,9,14H,8,10H2,1H3,(H,23,26)(H,27,28)/t14-/m0/s1
InChIKeyMBLKUOVEGMDKGH-AWEZNQCLSA-N
MW412.38 g/mol
LogP2.30
Rot. Bonds5

About 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid

6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 58239145) has the molecular formula C20H17FN4O5 and a molecular weight of 412.38 g/mol. Its IUPAC name is 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID58239145
Molecular FormulaC20H17FN4O5
Molecular Weight412.38 g/mol
Exact Mass412.12
IUPAC Name6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3cc(C(=O)O)c4nccn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17FN4O5/c1-11(26)23-8-14-10-25(20(29)30-14)13-2-3-15(17(21)7-13)12-6-16(19(27)28)18-22-4-5-24(18)9-12/h2-7,9,14H,8,10H2,1H3,(H,23,26)(H,27,28)/t14-/m0/s1
InChIKeyMBLKUOVEGMDKGH-AWEZNQCLSA-N
XLogP2.30
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 58239145) is 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid is CC(=O)NC[C@H]1CN(c2ccc(-c3cc(C(=O)O)c4nccn4c3)c(F)c2)C(=O)O1.
What is the InChIKey of 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is MBLKUOVEGMDKGH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17FN4O5/c1-11(26)23-8-14-10-25(20(29)30-14)13-2-3-15(17(21)7-13)12-6-16(19(27)28)18-22-4-5-24(18)9-12/h2-7,9,14H,8,10H2,1H3,(H,23,26)(H,27,28)/t14-/m0/s1.
What are the key properties of 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 412.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 58239145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).