(2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide

C15H22FN3O4 — CID 58582719

IUPAC(2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1c1ncco1)[C@H](F)C(=O)NO
InChIInChI=1S/C15H22FN3O4/c1-2-3-5-10(12(16)13(20)18-22)15(21)19-8-4-6-11(19)14-17-7-9-23-14/h7,9-12,22H,2-6,8H2,1H3,(H,18,20)/t10-,11+,12+/m1/s1
InChIKeyJOIFWAGGGMYBAH-WOPDTQHZSA-N
MW327.36 g/mol
LogP1.99
Rot. Bonds7

About (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide

(2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide (PubChem CID 58582719) has the molecular formula C15H22FN3O4 and a molecular weight of 327.36 g/mol. Its IUPAC name is (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide.

Molecular Properties

Compound Name(2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
PubChem CID58582719
Molecular FormulaC15H22FN3O4
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Name(2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1c1ncco1)[C@H](F)C(=O)NO
InChIInChI=1S/C15H22FN3O4/c1-2-3-5-10(12(16)13(20)18-22)15(21)19-8-4-6-11(19)14-17-7-9-23-14/h7,9-12,22H,2-6,8H2,1H3,(H,18,20)/t10-,11+,12+/m1/s1
InChIKeyJOIFWAGGGMYBAH-WOPDTQHZSA-N
XLogP1.99
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide 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 (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
The IUPAC name of (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide (CID 58582719) is (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide.
What is the SMILES notation for (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
The canonical SMILES for (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide is CCCC[C@@H](C(=O)N1CCC[C@H]1c1ncco1)[C@H](F)C(=O)NO.
What is the InChIKey of (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
The InChIKey is JOIFWAGGGMYBAH-WOPDTQHZSA-N. The full InChI is InChI=1S/C15H22FN3O4/c1-2-3-5-10(12(16)13(20)18-22)15(21)19-8-4-6-11(19)14-17-7-9-23-14/h7,9-12,22H,2-6,8H2,1H3,(H,18,20)/t10-,11+,12+/m1/s1.
What are the key properties of (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
(2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide has a molecular weight of 327.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-fluoro-N-hydroxy-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide is sourced from PubChem (CID 58582719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).