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

C19H17FN4O3 — CID 86605121

IUPAC(4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](c1ccc(F)cc1)[C@H](N=[N+]=[N-])C(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C19H17FN4O3/c1-12(13-7-9-15(20)10-8-13)17(22-23-21)18(25)24-16(11-27-19(24)26)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3/t12-,16+,17-/m0/s1
InChIKeyQYMPJVZAQCBGRM-VUCTXSBTSA-N
MW368.37 g/mol
LogP4.33
Rot. Bonds5

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

(4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 86605121) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID86605121
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name(4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](c1ccc(F)cc1)[C@H](N=[N+]=[N-])C(=O)N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C19H17FN4O3/c1-12(13-7-9-15(20)10-8-13)17(22-23-21)18(25)24-16(11-27-19(24)26)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3/t12-,16+,17-/m0/s1
InChIKeyQYMPJVZAQCBGRM-VUCTXSBTSA-N
XLogP4.33
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 54.33
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'}

Analyze (4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one 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

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
(S)-3-((2S,3R)-2-azido-3-(3,5-difluorophenyl)-4,4,4-trifluorobutanoyl)-4-benzyloxazolidin-2-one
CID 25205013
(4S)-4-benzyl-3-[(3S)-3-(3,5-difluorophenyl)-4,4,4-trifluorobutanoyl]-1,3-oxazolidin-2-one
CID 42646468
(S,Z)-3-(5-(4-fluorophenyl)pent-4-enoyl)-4-phenyloxazolidin-2-one
CID 49840895
(4R)-4-benzyl-3-[(1S,2R,3R,6R)-3-fluoro-6-methyl-4-methylidene-2-phenylcyclohexanecarbonyl]-1,3-oxazolidin-2-one
CID 57801774
(4R)-4-benzyl-3-(2-benzyl-3-fluoropent-4-enoyl)-1,3-oxazolidin-2-one
CID 68854639
(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
(4R)-3-[(2R)-2-benzyl-3,3,3-trifluoropropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101535125
(4R)-4-phenyl-3-[(2R)-3,3,3-trifluoro-2-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 101535126

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 86605121) is (4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@@H](c1ccc(F)cc1)[C@H](N=[N+]=[N-])C(=O)N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is QYMPJVZAQCBGRM-VUCTXSBTSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-12(13-7-9-15(20)10-8-13)17(22-23-21)18(25)24-16(11-27-19(24)26)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3/t12-,16+,17-/m0/s1.
What are the key properties of (4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 368.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3S)-2-azido-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 86605121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).