N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide

C16H25N3O5 — CID 23591393

IUPACN,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
SMILESCCCCC(C(=O)N1CCCC1c1ncc(C)o1)C(O)C(=O)NO
InChIInChI=1S/C16H25N3O5/c1-3-4-6-11(13(20)14(21)18-23)16(22)19-8-5-7-12(19)15-17-9-10(2)24-15/h9,11-13,20,23H,3-8H2,1-2H3,(H,18,21)
InChIKeyLJDZHNVDOLXLAZ-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.32
Rot. Bonds7

About N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide

N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide (PubChem CID 23591393) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide.

Molecular Properties

Compound NameN,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
PubChem CID23591393
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
SMILESCCCCC(C(=O)N1CCCC1c1ncc(C)o1)C(O)C(=O)NO
InChIInChI=1S/C16H25N3O5/c1-3-4-6-11(13(20)14(21)18-23)16(22)19-8-5-7-12(19)15-17-9-10(2)24-15/h9,11-13,20,23H,3-8H2,1-2H3,(H,18,21)
InChIKeyLJDZHNVDOLXLAZ-UHFFFAOYSA-N
XLogP1.32
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
CID 23591404
2-fluoro-N-hydroxy-3-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
CID 23591386
2-hydroxy-3-[(2R)-2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanoic acid
CID 68964643
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
CID 58582722
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide
CID 23520223
1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359439
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide
CID 23520217
1-[2-(5-tert-butyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-2-(sulfanylmethyl)hexan-1-one
CID 23591403
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 23520183
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520219
benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 87636537

Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
The IUPAC name of N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide (CID 23591393) is N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide.
What is the SMILES notation for N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
The canonical SMILES for N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide is CCCCC(C(=O)N1CCCC1c1ncc(C)o1)C(O)C(=O)NO.
What is the InChIKey of N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
The InChIKey is LJDZHNVDOLXLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-3-4-6-11(13(20)14(21)18-23)16(22)19-8-5-7-12(19)15-17-9-10(2)24-15/h9,11-13,20,23H,3-8H2,1-2H3,(H,18,21).
What are the key properties of N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide?
N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide has a molecular weight of 339.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide is sourced from PubChem (CID 23591393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).