3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide

C17H27N3O5 — CID 23591404

IUPAC3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
SMILESCCCCC(C(=O)N1CCCC1c1nc(C)c(C)o1)C(O)C(=O)NO
InChIInChI=1S/C17H27N3O5/c1-4-5-7-12(14(21)15(22)19-24)17(23)20-9-6-8-13(20)16-18-10(2)11(3)25-16/h12-14,21,24H,4-9H2,1-3H3,(H,19,22)
InChIKeyUINFUUATAUJNTI-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.63
Rot. Bonds7

About 3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide

3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide (PubChem CID 23591404) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide.

Molecular Properties

Compound Name3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
PubChem CID23591404
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
SMILESCCCCC(C(=O)N1CCCC1c1nc(C)c(C)o1)C(O)C(=O)NO
InChIInChI=1S/C17H27N3O5/c1-4-5-7-12(14(21)15(22)19-24)17(23)20-9-6-8-13(20)16-18-10(2)11(3)25-16/h12-14,21,24H,4-9H2,1-3H3,(H,19,22)
InChIKeyUINFUUATAUJNTI-UHFFFAOYSA-N
XLogP1.63
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.63
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

N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
CID 23591393
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
CID 58582722
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-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide
CID 23520223
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 23520183
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide
CID 23520217
(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-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520219
(2S)-1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-methylpyrrolidine-2-carboxamide
CID 23520292
tert-butyl (2S)-1-[(2R)-2-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxylate
CID 59908492
propyl (4R)-3-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-1,3-thiazolidine-4-carboxylate
CID 101338601

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide?
The IUPAC name of 3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide (CID 23591404) is 3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide.
What is the SMILES notation for 3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide?
The canonical SMILES for 3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide is CCCCC(C(=O)N1CCCC1c1nc(C)c(C)o1)C(O)C(=O)NO.
What is the InChIKey of 3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide?
The InChIKey is UINFUUATAUJNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-4-5-7-12(14(21)15(22)19-24)17(23)20-9-6-8-13(20)16-18-10(2)11(3)25-16/h12-14,21,24H,4-9H2,1-3H3,(H,19,22).
What are the key properties of 3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide?
3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide has a molecular weight of 353.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide is sourced from PubChem (CID 23591404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).