(2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide

C21H26N4O5 — CID 87348635

IUPAC(2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide
SMILESCc1cc(O[C@@H]2CN[C@H](C(=O)N3CC[C@H](c4ccccc4)C3)[C@@H](C(=O)NO)C2)no1
InChIInChI=1S/C21H26N4O5/c1-13-9-18(24-30-13)29-16-10-17(20(26)23-28)19(22-11-16)21(27)25-8-7-15(12-25)14-5-3-2-4-6-14/h2-6,9,15-17,19,22,28H,7-8,10-12H2,1H3,(H,23,26)/t15-,16-,17-,19-/m0/s1
InChIKeyHZNPBCIUICFXAI-DWRORGKVSA-N
MW414.46 g/mol
LogP1.23
Rot. Bonds5

About (2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide

(2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide (PubChem CID 87348635) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is (2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide
PubChem CID87348635
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name(2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide
SMILESCc1cc(O[C@@H]2CN[C@H](C(=O)N3CC[C@H](c4ccccc4)C3)[C@@H](C(=O)NO)C2)no1
InChIInChI=1S/C21H26N4O5/c1-13-9-18(24-30-13)29-16-10-17(20(26)23-28)19(22-11-16)21(27)25-8-7-15(12-25)14-5-3-2-4-6-14/h2-6,9,15-17,19,22,28H,7-8,10-12H2,1H3,(H,23,26)/t15-,16-,17-,19-/m0/s1
InChIKeyHZNPBCIUICFXAI-DWRORGKVSA-N
XLogP1.23
TPSA116.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide (CID 87348635) is (2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide is Cc1cc(O[C@@H]2CN[C@H](C(=O)N3CC[C@H](c4ccccc4)C3)[C@@H](C(=O)NO)C2)no1.
What is the InChIKey of (2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide?
The InChIKey is HZNPBCIUICFXAI-DWRORGKVSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-13-9-18(24-30-13)29-16-10-17(20(26)23-28)19(22-11-16)21(27)25-8-7-15(12-25)14-5-3-2-4-6-14/h2-6,9,15-17,19,22,28H,7-8,10-12H2,1H3,(H,23,26)/t15-,16-,17-,19-/m0/s1.
What are the key properties of (2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide?
(2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-N-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)oxy]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 87348635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).