5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one

C13H10FN3O5 — CID 122403723

IUPAC5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one
SMILESCc1noc(CC2(O)C(=O)Nc3ccc(F)cc32)c1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O5/c1-6-11(17(20)21)10(22-16-6)5-13(19)8-4-7(14)2-3-9(8)15-12(13)18/h2-4,19H,5H2,1H3,(H,15,18)
InChIKeyVAZZZSAHKKDNOG-UHFFFAOYSA-N
MW307.24 g/mol
LogP1.41
Rot. Bonds3

About 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one

5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one (PubChem CID 122403723) has the molecular formula C13H10FN3O5 and a molecular weight of 307.24 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one
PubChem CID122403723
Molecular FormulaC13H10FN3O5
Molecular Weight307.24 g/mol
Exact Mass307.06
IUPAC Name5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one
SMILESCc1noc(CC2(O)C(=O)Nc3ccc(F)cc32)c1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O5/c1-6-11(17(20)21)10(22-16-6)5-13(19)8-4-7(14)2-3-9(8)15-12(13)18/h2-4,19H,5H2,1H3,(H,15,18)
InChIKeyVAZZZSAHKKDNOG-UHFFFAOYSA-N
XLogP1.41
TPSA118.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-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

3-(5-Amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one
CID 4215280
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 86282038
5-(3,5-Dimethylisoxazol-4-yl)-3-(4-fluorophenyl)-3-hydroxyindolin-2-one
CID 86282448
5-(3,5-Dimethylisoxazol-4-yl)-3-hydroxy-3-(2-oxocyclohexyl)indolin-2-one
CID 117668070
(3S)-1-benzyl-3-[difluoro-(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-3-hydroxyindol-2-one
CID 177850037
3-(5-Amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-(3-methylbutyl)indol-2-one
CID 4784574
3-[difluoro-(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one
CID 151265905
3-Hydroxy-3-((3-methyl-4-nitroisoxazol-5-yl)methyl)indolin-2-one
CID 139200278
3-(1-(3-Ethyl-4-nitroisoxazol-5-yl)ethyl)-3-hydroxy-5-methoxyindolin-2-one
CID 139200279
3-((4-Amino-3-methylisoxazol-5-yl)methyl)-3-hydroxyindolin-2-one
CID 139200280
tert-butyl N-[(3R)-1-methyl-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-2-oxoindol-3-yl]carbamate
CID 164679896
3-[1-(3-ethyl-4-nitro-1,2-oxazol-5-yl)ethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 122403728

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one (CID 122403723) is 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one is Cc1noc(CC2(O)C(=O)Nc3ccc(F)cc32)c1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one?
The InChIKey is VAZZZSAHKKDNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O5/c1-6-11(17(20)21)10(22-16-6)5-13(19)8-4-7(14)2-3-9(8)15-12(13)18/h2-4,19H,5H2,1H3,(H,15,18).
What are the key properties of 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one?
5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one has a molecular weight of 307.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-3-[(3-methyl-4-nitro-1,2-oxazol-5-yl)methyl]-1H-indol-2-one is sourced from PubChem (CID 122403723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).