[5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate

C26H24N4O6 — CID 142248414

IUPAC[5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate
SMILES[H]/N=C(\N)c1cccc(N2CC(COc3ccc(C(=O)Nc4ccccc4)c(OC(C)=O)c3)OC2=O)c1
InChIInChI=1S/C26H24N4O6/c1-16(31)35-23-13-20(10-11-22(23)25(32)29-18-7-3-2-4-8-18)34-15-21-14-30(26(33)36-21)19-9-5-6-17(12-19)24(27)28/h2-13,21H,14-15H2,1H3,(H3,27,28)(H,29,32)
InChIKeyRQHTWXDSUWZOFI-UHFFFAOYSA-N
MW488.50 g/mol
LogP3.55
Rot. Bonds8

About [5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate

[5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate (PubChem CID 142248414) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is [5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate
PubChem CID142248414
Molecular FormulaC26H24N4O6
Molecular Weight488.50 g/mol
Exact Mass488.17
IUPAC Name[5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate
SMILES[H]/N=C(\N)c1cccc(N2CC(COc3ccc(C(=O)Nc4ccccc4)c(OC(C)=O)c3)OC2=O)c1
InChIInChI=1S/C26H24N4O6/c1-16(31)35-23-13-20(10-11-22(23)25(32)29-18-7-3-2-4-8-18)34-15-21-14-30(26(33)36-21)19-9-5-6-17(12-19)24(27)28/h2-13,21H,14-15H2,1H3,(H3,27,28)(H,29,32)
InChIKeyRQHTWXDSUWZOFI-UHFFFAOYSA-N
XLogP3.55
TPSA144.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide
CID 91531422
ethyl 4-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoate
CID 142248422
[2-carbamimidoyl-5-[5-(naphthalen-1-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl] acetate
CID 142248378
acetic acid;3-[5-[(4-acetyl-2-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 158915368
acetic acid;4-[2-oxo-5-[(4-phenylphenoxy)methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 159729512
methyl 2-[3-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]acetate;hydroiodide
CID 139662327
3-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-[(3-fluorophenyl)methyl]benzamide
CID 10195337
4-[2-oxo-5-[(4-propoxyphenoxy)methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 10287062
methyl 2-amino-3-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoate
CID 18176781
2-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N,N-dimethylbenzamide
CID 10194014
[2-carbamimidoyl-6-[5-[[4-[2-(4-methylphenyl)ethyl]phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl] acetate
CID 142248415
3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 10195577

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate?
The IUPAC name of [5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate (CID 142248414) is [5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate?
The canonical SMILES for [5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate is [H]/N=C(\N)c1cccc(N2CC(COc3ccc(C(=O)Nc4ccccc4)c(OC(C)=O)c3)OC2=O)c1.
What is the InChIKey of [5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate?
The InChIKey is RQHTWXDSUWZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6/c1-16(31)35-23-13-20(10-11-22(23)25(32)29-18-7-3-2-4-8-18)34-15-21-14-30(26(33)36-21)19-9-5-6-17(12-19)24(27)28/h2-13,21H,14-15H2,1H3,(H3,27,28)(H,29,32).
What are the key properties of [5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate?
[5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate has a molecular weight of 488.50 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 142248414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).