benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate

C28H25FN4O5 — CID 58239182

IUPACbenzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(CC(=O)OCc5ccccc5)cn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C28H25FN4O5/c1-18(34)30-13-23-16-33(28(36)38-23)22-8-9-24(25(29)12-22)20-7-10-26-31-21(15-32(26)14-20)11-27(35)37-17-19-5-3-2-4-6-19/h2-10,12,14-15,23H,11,13,16-17H2,1H3,(H,30,34)/t23-/m0/s1
InChIKeyBIZHNXBYSFTWHZ-QHCPKHFHSA-N
MW516.53 g/mol
LogP3.89
Rot. Bonds8

About benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate

benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 58239182) has the molecular formula C28H25FN4O5 and a molecular weight of 516.53 g/mol. Its IUPAC name is benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate
PubChem CID58239182
Molecular FormulaC28H25FN4O5
Molecular Weight516.53 g/mol
Exact Mass516.18
IUPAC Namebenzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(CC(=O)OCc5ccccc5)cn4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C28H25FN4O5/c1-18(34)30-13-23-16-33(28(36)38-23)22-8-9-24(25(29)12-22)20-7-10-26-31-21(15-32(26)14-20)11-27(35)37-17-19-5-3-2-4-6-19/h2-10,12,14-15,23H,11,13,16-17H2,1H3,(H,30,34)/t23-/m0/s1
InChIKeyBIZHNXBYSFTWHZ-QHCPKHFHSA-N
XLogP3.89
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate?
The IUPAC name of benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate (CID 58239182) is benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate?
The canonical SMILES for benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nc(CC(=O)OCc5ccccc5)cn4c3)c(F)c2)C(=O)O1.
What is the InChIKey of benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate?
The InChIKey is BIZHNXBYSFTWHZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H25FN4O5/c1-18(34)30-13-23-16-33(28(36)38-23)22-8-9-24(25(29)12-22)20-7-10-26-31-21(15-32(26)14-20)11-27(35)37-17-19-5-3-2-4-6-19/h2-10,12,14-15,23H,11,13,16-17H2,1H3,(H,30,34)/t23-/m0/s1.
What are the key properties of benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate?
benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 516.53 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[6-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 58239182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).