3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide

C23H26Cl2N4O3 — CID 10195577

IUPAC3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N2CC(COc3c(Cl)cc(Cl)cc3CN3CCCCC3)OC2=O)c1
InChIInChI=1S/C23H26Cl2N4O3/c24-17-9-16(12-28-7-2-1-3-8-28)21(20(25)11-17)31-14-19-13-29(23(30)32-19)18-6-4-5-15(10-18)22(26)27/h4-6,9-11,19H,1-3,7-8,12-14H2,(H3,26,27)
InChIKeyRWIRLBFLIUHHIX-UHFFFAOYSA-N
MW477.39 g/mol
LogP4.67
Rot. Bonds7

About 3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide

3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide (PubChem CID 10195577) has the molecular formula C23H26Cl2N4O3 and a molecular weight of 477.39 g/mol. Its IUPAC name is 3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide
PubChem CID10195577
Molecular FormulaC23H26Cl2N4O3
Molecular Weight477.39 g/mol
Exact Mass476.14
IUPAC Name3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N2CC(COc3c(Cl)cc(Cl)cc3CN3CCCCC3)OC2=O)c1
InChIInChI=1S/C23H26Cl2N4O3/c24-17-9-16(12-28-7-2-1-3-8-28)21(20(25)11-17)31-14-19-13-29(23(30)32-19)18-6-4-5-15(10-18)22(26)27/h4-6,9-11,19H,1-3,7-8,12-14H2,(H3,26,27)
InChIKeyRWIRLBFLIUHHIX-UHFFFAOYSA-N
XLogP4.67
TPSA91.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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
4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 57281582
3-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-N-(4-methoxyphenyl)benzamide
CID 91531422
[5-[[3-(3-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(phenylcarbamoyl)phenyl] acetate
CID 142248414
3-[2-oxo-5-[[(2,4,6-trimethylphenyl)sulfonylmethylamino]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 70075003
4-[5-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 54184282
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
2-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-1H-pyrrol-3-yl]acetic acid
CID 19356314
[2-carbamimidoyl-5-[5-(naphthalen-1-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl] acetate
CID 142248378
3-[2-oxo-5-[[(4-propan-2-ylphenyl)sulfonylmethylamino]methyl]-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 70086159

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The IUPAC name of 3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide (CID 10195577) is 3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide.
What is the SMILES notation for 3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The canonical SMILES for 3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N2CC(COc3c(Cl)cc(Cl)cc3CN3CCCCC3)OC2=O)c1.
What is the InChIKey of 3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The InChIKey is RWIRLBFLIUHHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O3/c24-17-9-16(12-28-7-2-1-3-8-28)21(20(25)11-17)31-14-19-13-29(23(30)32-19)18-6-4-5-15(10-18)22(26)27/h4-6,9-11,19H,1-3,7-8,12-14H2,(H3,26,27).
What are the key properties of 3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide?
3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide has a molecular weight of 477.39 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2,4-dichloro-6-(piperidin-1-ylmethyl)phenoxy]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzenecarboximidamide is sourced from PubChem (CID 10195577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).