[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid

C18H18FN3O4 — CID 69397899

IUPAC[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid
SMILESNC[C@H]1CN(c2ccc(CN(C(=O)O)c3ccccc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H18FN3O4/c19-16-8-14(22-11-15(9-20)26-18(22)25)7-6-12(16)10-21(17(23)24)13-4-2-1-3-5-13/h1-8,15H,9-11,20H2,(H,23,24)/t15-/m0/s1
InChIKeyCCVXKCWMROBKJQ-HNNXBMFYSA-N
MW359.36 g/mol
LogP2.79
Rot. Bonds5

About [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid

[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid (PubChem CID 69397899) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid.

Molecular Properties

Compound Name[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid
PubChem CID69397899
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid
SMILESNC[C@H]1CN(c2ccc(CN(C(=O)O)c3ccccc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H18FN3O4/c19-16-8-14(22-11-15(9-20)26-18(22)25)7-6-12(16)10-21(17(23)24)13-4-2-1-3-5-13/h1-8,15H,9-11,20H2,(H,23,24)/t15-/m0/s1
InChIKeyCCVXKCWMROBKJQ-HNNXBMFYSA-N
XLogP2.79
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid 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

3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
(5S)-5-(aminomethyl)-3-[4-(benzotriazol-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 11544412
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzonitrile
CID 67538154
(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
benzyl 3-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidine-1-carboxylate
CID 22625694
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(aminomethyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 23394079
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 129070942
5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22509418

Frequently Asked Questions

What is the IUPAC name of [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid?
The IUPAC name of [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid (CID 69397899) is [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid.
What is the SMILES notation for [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid?
The canonical SMILES for [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid is NC[C@H]1CN(c2ccc(CN(C(=O)O)c3ccccc3)c(F)c2)C(=O)O1.
What is the InChIKey of [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid?
The InChIKey is CCVXKCWMROBKJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c19-16-8-14(22-11-15(9-20)26-18(22)25)7-6-12(16)10-21(17(23)24)13-4-2-1-3-5-13/h1-8,15H,9-11,20H2,(H,23,24)/t15-/m0/s1.
What are the key properties of [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid?
[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid has a molecular weight of 359.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid is sourced from PubChem (CID 69397899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).