3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one

C17H13FN4O3 — CID 54199259

IUPAC3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC(C(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H13FN4O3/c18-13-8-6-12(7-9-13)15(20-21-19)16(23)22-14(10-25-17(22)24)11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeyPOAWLGVCJJWIJI-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.90
Rot. Bonds4

About 3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one

3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 54199259) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID54199259
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC(C(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H13FN4O3/c18-13-8-6-12(7-9-13)15(20-21-19)16(23)22-14(10-25-17(22)24)11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeyPOAWLGVCJJWIJI-UHFFFAOYSA-N
XLogP3.90
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
CID 11187377
N-Methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]-N-(2-phenylethyl)acetamide
CID 72841935
R62Tjm8EK3
CID 10915654
(4R)-4-benzyl-3-[(2S,3R)-2-benzyl-3-fluoropent-4-enoyl]-1,3-oxazolidin-2-one
CID 11566827
1-(4-Fluorophenyl)-5-(2-oxo-4-phenyl-3-oxazolidinyl)-1,5-pentanedione
CID 22052685
(S)-3-((2S,3R)-2-azido-3-(3,5-difluorophenyl)-4,4,4-trifluorobutanoyl)-4-benzyloxazolidin-2-one
CID 25205013
(S,Z)-3-(5-(4-fluorophenyl)pent-4-enoyl)-4-phenyloxazolidin-2-one
CID 49840895
(4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one
CID 68854639
(4R)-3-[(2E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 86726354
(4R)-3-[(2R,3R)-2-methyl-3-[4-(trifluoromethyl)phenyl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 163645263
(4S)-4-phenyl-3-[(3R)-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 10267335
3-Benzyl-4-phenyl-2,5-oxazolidinedione
CID 4109672

Frequently Asked Questions

What is the IUPAC name of 3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one (CID 54199259) is 3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one is [N-]=[N+]=NC(C(=O)N1C(=O)OCC1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is POAWLGVCJJWIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-13-8-6-12(7-9-13)15(20-21-19)16(23)22-14(10-25-17(22)24)11-4-2-1-3-5-11/h1-9,14-15H,10H2.
What are the key properties of 3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 340.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-azido-2-(4-fluorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 54199259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).