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

C15H22FN3O4 — CID 23591386

IUPAC2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
SMILESCCCCC(C(=O)N1CCCC1c1ncco1)C(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)
InChIKeyJOIFWAGGGMYBAH-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.99
Rot. Bonds7

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

2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide (PubChem CID 23591386) has the molecular formula C15H22FN3O4 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide.

Molecular Properties

Compound Name2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
PubChem CID23591386
Molecular FormulaC15H22FN3O4
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Name2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
SMILESCCCCC(C(=O)N1CCCC1c1ncco1)C(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)
InChIKeyJOIFWAGGGMYBAH-UHFFFAOYSA-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'}

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Related Compounds

2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid
CID 68964643
N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
CID 23591393
N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 87636537
(2S)-1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-methylpyrrolidine-2-carboxamide
CID 23520292
3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
CID 23591404
(2S)-1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide
CID 23520297
1-[2-[1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 22666890
1-[2-[1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 22666965
1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 59908496
N-(4-tert-butylphenyl)-1-[2-[1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 22666996
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520271
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520290

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
The IUPAC name of 2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide (CID 23591386) is 2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide.
What is the SMILES notation for 2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
The canonical SMILES for 2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide is CCCCC(C(=O)N1CCCC1c1ncco1)C(F)C(=O)NO.
What is the InChIKey of 2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
The InChIKey is JOIFWAGGGMYBAH-UHFFFAOYSA-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).
What are the key properties of 2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
2-fluoro-N-hydroxy-3-[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 2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide is sourced from PubChem (CID 23591386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).