3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide

C25H24N4O5 — CID 91531422

IUPAC3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide
SMILES[H]/N=C(\N)c1cccc(N2CC(COc3cccc(C(=O)Nc4ccc(OC)cc4)c3)OC2=O)c1
InChIInChI=1S/C25H24N4O5/c1-32-20-10-8-18(9-11-20)28-24(30)17-5-3-7-21(13-17)33-15-22-14-29(25(31)34-22)19-6-2-4-16(12-19)23(26)27/h2-13,22H,14-15H2,1H3,(H3,26,27)(H,28,30)
InChIKeyBEBUZNINELQTLT-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.64
Rot. Bonds8

About 3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide

3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide (PubChem CID 91531422) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide
PubChem CID91531422
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide
SMILES[H]/N=C(\N)c1cccc(N2CC(COc3cccc(C(=O)Nc4ccc(OC)cc4)c3)OC2=O)c1
InChIInChI=1S/C25H24N4O5/c1-32-20-10-8-18(9-11-20)28-24(30)17-5-3-7-21(13-17)33-15-22-14-29(25(31)34-22)19-6-2-4-16(12-19)23(26)27/h2-13,22H,14-15H2,1H3,(H3,26,27)(H,28,30)
InChIKeyBEBUZNINELQTLT-UHFFFAOYSA-N
XLogP3.64
TPSA126.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate
CID 142248414
ethyl 4-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]benzoate
CID 142248422
acetic acid;3-[5-[(4-acetyl-2-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 158915368
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
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide
CID 141009924
3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 10195577
3-[2-oxo-5-[[(2,4,6-trimethylphenyl)sulfonylmethylamino]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 70075003
3-[(1S,2S,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(4-methoxyphenyl)benzamide
CID 124724501

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide (CID 91531422) is 3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide is [H]/N=C(\N)c1cccc(N2CC(COc3cccc(C(=O)Nc4ccc(OC)cc4)c3)OC2=O)c1.
What is the InChIKey of 3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide?
The InChIKey is BEBUZNINELQTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-32-20-10-8-18(9-11-20)28-24(30)17-5-3-7-21(13-17)33-15-22-14-29(25(31)34-22)19-6-2-4-16(12-19)23(26)27/h2-13,22H,14-15H2,1H3,(H3,26,27)(H,28,30).
What are the key properties of 3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide?
3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide has a molecular weight of 460.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 91531422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).