N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide

C19H23N3O5 — CID 87069632

IUPACN-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide
SMILESCCCCC[C@@H](CN(O)C=O)c1nnc(-c2cc3cccc(OC)c3o2)o1
InChIInChI=1S/C19H23N3O5/c1-3-4-5-7-14(11-22(24)12-23)18-20-21-19(27-18)16-10-13-8-6-9-15(25-2)17(13)26-16/h6,8-10,12,14,24H,3-5,7,11H2,1-2H3/t14-/m0/s1
InChIKeyMLJFFYOLWCGESG-AWEZNQCLSA-N
MW373.41 g/mol
LogP4.00
Rot. Bonds10

About N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide

N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide (PubChem CID 87069632) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide
PubChem CID87069632
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide
SMILESCCCCC[C@@H](CN(O)C=O)c1nnc(-c2cc3cccc(OC)c3o2)o1
InChIInChI=1S/C19H23N3O5/c1-3-4-5-7-14(11-22(24)12-23)18-20-21-19(27-18)16-10-13-8-6-9-15(25-2)17(13)26-16/h6,8-10,12,14,24H,3-5,7,11H2,1-2H3/t14-/m0/s1
InChIKeyMLJFFYOLWCGESG-AWEZNQCLSA-N
XLogP4.00
TPSA101.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide (CID 87069632) is N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide is CCCCC[C@@H](CN(O)C=O)c1nnc(-c2cc3cccc(OC)c3o2)o1.
What is the InChIKey of N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide?
The InChIKey is MLJFFYOLWCGESG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-3-4-5-7-14(11-22(24)12-23)18-20-21-19(27-18)16-10-13-8-6-9-15(25-2)17(13)26-16/h6,8-10,12,14,24H,3-5,7,11H2,1-2H3/t14-/m0/s1.
What are the key properties of N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide?
N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide has a molecular weight of 373.41 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2S)-2-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]heptyl]formamide is sourced from PubChem (CID 87069632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).