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

C16H21N3O3 — CID 46190823

IUPACN-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide
SMILESCc1ccc(-c2noc(CCCCCCC(=O)NO)n2)cc1
InChIInChI=1S/C16H21N3O3/c1-12-8-10-13(11-9-12)16-17-15(22-19-16)7-5-3-2-4-6-14(20)18-21/h8-11,21H,2-7H2,1H3,(H,18,20)
InChIKeyIUUGUWQXAQDURY-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.04
Rot. Bonds8

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

N-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide (PubChem CID 46190823) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide
PubChem CID46190823
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide
SMILESCc1ccc(-c2noc(CCCCCCC(=O)NO)n2)cc1
InChIInChI=1S/C16H21N3O3/c1-12-8-10-13(11-9-12)16-17-15(22-19-16)7-5-3-2-4-6-14(20)18-21/h8-11,21H,2-7H2,1H3,(H,18,20)
InChIKeyIUUGUWQXAQDURY-UHFFFAOYSA-N
XLogP3.04
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide (CID 46190823) is N-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide is Cc1ccc(-c2noc(CCCCCCC(=O)NO)n2)cc1.
What is the InChIKey of N-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
The InChIKey is IUUGUWQXAQDURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-8-10-13(11-9-12)16-17-15(22-19-16)7-5-3-2-4-6-14(20)18-21/h8-11,21H,2-7H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide?
N-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide has a molecular weight of 303.36 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide is sourced from PubChem (CID 46190823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).