N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide

C15H18N4O5 — CID 46190822

IUPACN-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide
SMILESO=C(CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1)NO
InChIInChI=1S/C15H18N4O5/c20-13(17-21)8-3-1-2-4-9-14-16-15(18-24-14)11-6-5-7-12(10-11)19(22)23/h5-7,10,21H,1-4,8-9H2,(H,17,20)
InChIKeyJWKUHJXRZYNWLF-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.64
Rot. Bonds9

About N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide

N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide (PubChem CID 46190822) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide
PubChem CID46190822
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC NameN-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide
SMILESO=C(CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1)NO
InChIInChI=1S/C15H18N4O5/c20-13(17-21)8-3-1-2-4-9-14-16-15(18-24-14)11-6-5-7-12(10-11)19(22)23/h5-7,10,21H,1-4,8-9H2,(H,17,20)
InChIKeyJWKUHJXRZYNWLF-UHFFFAOYSA-N
XLogP2.64
TPSA131.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide (CID 46190822) is N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide is O=C(CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1)NO.
What is the InChIKey of N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The InChIKey is JWKUHJXRZYNWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c20-13(17-21)8-3-1-2-4-9-14-16-15(18-24-14)11-6-5-7-12(10-11)19(22)23/h5-7,10,21H,1-4,8-9H2,(H,17,20).
What are the key properties of N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide has a molecular weight of 334.33 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide is sourced from PubChem (CID 46190822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).