1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea

C22H19FN4O4 — CID 53361656

IUPAC1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea
SMILESO=C(NC[C@H]1CN(c2ccc(-n3ccccc3=O)cc2)C(=O)O1)Nc1ccc(F)cc1
InChIInChI=1S/C22H19FN4O4/c23-15-4-6-16(7-5-15)25-21(29)24-13-19-14-27(22(30)31-19)18-10-8-17(9-11-18)26-12-2-1-3-20(26)28/h1-12,19H,13-14H2,(H2,24,25,29)/t19-/m0/s1
InChIKeyZAOURKKKORZKRA-IBGZPJMESA-N
MW422.42 g/mol
LogP3.12
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea

1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea (PubChem CID 53361656) has the molecular formula C22H19FN4O4 and a molecular weight of 422.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea
PubChem CID53361656
Molecular FormulaC22H19FN4O4
Molecular Weight422.42 g/mol
Exact Mass422.14
IUPAC Name1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea
SMILESO=C(NC[C@H]1CN(c2ccc(-n3ccccc3=O)cc2)C(=O)O1)Nc1ccc(F)cc1
InChIInChI=1S/C22H19FN4O4/c23-15-4-6-16(7-5-15)25-21(29)24-13-19-14-27(22(30)31-19)18-10-8-17(9-11-18)26-12-2-1-3-20(26)28/h1-12,19H,13-14H2,(H2,24,25,29)/t19-/m0/s1
InChIKeyZAOURKKKORZKRA-IBGZPJMESA-N
XLogP3.12
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea (CID 53361656) is 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea is O=C(NC[C@H]1CN(c2ccc(-n3ccccc3=O)cc2)C(=O)O1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea?
The InChIKey is ZAOURKKKORZKRA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19FN4O4/c23-15-4-6-16(7-5-15)25-21(29)24-13-19-14-27(22(30)31-19)18-10-8-17(9-11-18)26-12-2-1-3-20(26)28/h1-12,19H,13-14H2,(H2,24,25,29)/t19-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea?
1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea has a molecular weight of 422.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]urea is sourced from PubChem (CID 53361656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).