N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide

C19H24ClN3O4 — CID 58016170

IUPACN-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2o1
InChIInChI=1S/C19H24ClN3O4/c1-2-3-5-13(11-22(26)12-24)19(25)23-9-4-6-16(23)18-21-15-8-7-14(20)10-17(15)27-18/h7-8,10,12-13,16,26H,2-6,9,11H2,1H3/t13-,16+/m1/s1
InChIKeyFPMHEAABKWHGRK-CJNGLKHVSA-N
MW393.87 g/mol
LogP3.80
Rot. Bonds8

About N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide

N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide (PubChem CID 58016170) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
PubChem CID58016170
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC NameN-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2o1
InChIInChI=1S/C19H24ClN3O4/c1-2-3-5-13(11-22(26)12-24)19(25)23-9-4-6-16(23)18-21-15-8-7-14(20)10-17(15)27-18/h7-8,10,12-13,16,26H,2-6,9,11H2,1H3/t13-,16+/m1/s1
InChIKeyFPMHEAABKWHGRK-CJNGLKHVSA-N
XLogP3.80
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.80
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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Related Compounds

N-[2-[2-(1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]heptyl]-N-hydroxyformamide
CID 75073607
N-[2-[2-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 87682953
N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 87636537
N-[(2R)-2-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 58016156
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 87681024
N-[(2S)-2-[(2S)-2-(6-amino-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 87682944
N-[(2S)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 87680112
N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 143500352
N-[(2R)-2-[(2S)-2-[6-(benzenesulfonamido)-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 58016089
N-[(2R)-2-[(2S)-2-(7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
CID 58016155
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 25188984
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 25189255

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide (CID 58016170) is N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide is CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2o1.
What is the InChIKey of N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide?
The InChIKey is FPMHEAABKWHGRK-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-2-3-5-13(11-22(26)12-24)19(25)23-9-4-6-16(23)18-21-15-8-7-14(20)10-17(15)27-18/h7-8,10,12-13,16,26H,2-6,9,11H2,1H3/t13-,16+/m1/s1.
What are the key properties of N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide?
N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide has a molecular weight of 393.87 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2S)-2-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide is sourced from PubChem (CID 58016170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).