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

C15H23N3O4 — CID 87636537

IUPACN-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
SMILESCCCC[C@@H](CN(O)C=O)C(=O)N1CCCC1c1ncco1
InChIInChI=1S/C15H23N3O4/c1-2-3-5-12(10-17(21)11-19)15(20)18-8-4-6-13(18)14-16-7-9-22-14/h7,9,11-13,21H,2-6,8,10H2,1H3/t12-,13?/m0/s1
InChIKeyLYVLITNELFVYRT-UEWDXFNNSA-N
MW309.37 g/mol
LogP1.99
Rot. Bonds8

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

N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide (PubChem CID 87636537) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
PubChem CID87636537
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
SMILESCCCC[C@@H](CN(O)C=O)C(=O)N1CCCC1c1ncco1
InChIInChI=1S/C15H23N3O4/c1-2-3-5-12(10-17(21)11-19)15(20)18-8-4-6-13(18)14-16-7-9-22-14/h7,9,11-13,21H,2-6,8,10H2,1H3/t12-,13?/m0/s1
InChIKeyLYVLITNELFVYRT-UEWDXFNNSA-N
XLogP1.99
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide?
The IUPAC name of N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide (CID 87636537) is N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide is CCCC[C@@H](CN(O)C=O)C(=O)N1CCCC1c1ncco1.
What is the InChIKey of N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide?
The InChIKey is LYVLITNELFVYRT-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-2-3-5-12(10-17(21)11-19)15(20)18-8-4-6-13(18)14-16-7-9-22-14/h7,9,11-13,21H,2-6,8,10H2,1H3/t12-,13?/m0/s1.
What are the key properties of N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide?
N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide has a molecular weight of 309.37 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide is sourced from PubChem (CID 87636537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).