benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate

C22H24FN3O4 — CID 22625694

IUPACbenzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate
SMILESCC1(c2ccc(N3CC(CN)OC3=O)cc2F)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C22H24FN3O4/c1-22(13-25(14-22)20(27)29-12-15-5-3-2-4-6-15)18-8-7-16(9-19(18)23)26-11-17(10-24)30-21(26)28/h2-9,17H,10-14,24H2,1H3
InChIKeyMKMGXHOYHKNFMQ-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.02
Rot. Bonds5

About benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate

benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate (PubChem CID 22625694) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate
PubChem CID22625694
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC Namebenzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate
SMILESCC1(c2ccc(N3CC(CN)OC3=O)cc2F)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C22H24FN3O4/c1-22(13-25(14-22)20(27)29-12-15-5-3-2-4-6-15)18-8-7-16(9-19(18)23)26-11-17(10-24)30-21(26)28/h2-9,17H,10-14,24H2,1H3
InChIKeyMKMGXHOYHKNFMQ-UHFFFAOYSA-N
XLogP3.02
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
CID 67054838
benzyl 4-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 91599707
(5R)-3-[3-fluoro-4-(4-phenylmethoxycarbonylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 90829570
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
benzyl 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperidine-1-carboxylate
CID 54088345
benzyl 4-[2-fluoro-4-[5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 76738945
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 70917959
2-[2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-2-oxoethyl]-4-(2-aminoethyl)benzamide
CID 151548436
benzyl 4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 10143894
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid
CID 69397899

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate?
The IUPAC name of benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate (CID 22625694) is benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate is CC1(c2ccc(N3CC(CN)OC3=O)cc2F)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate?
The InChIKey is MKMGXHOYHKNFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-22(13-25(14-22)20(27)29-12-15-5-3-2-4-6-15)18-8-7-16(9-19(18)23)26-11-17(10-24)30-21(26)28/h2-9,17H,10-14,24H2,1H3.
What are the key properties of benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate?
benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate has a molecular weight of 413.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate is sourced from PubChem (CID 22625694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).