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

C22H25N3O3 — CID 90681034

IUPAC7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCCO)c3)o2)cc1
InChIInChI=1S/C22H25N3O3/c1-16-10-12-17(13-11-16)21-24-25-22(28-21)18-7-6-8-19(15-18)23-20(27)9-4-2-3-5-14-26/h6-8,10-13,15,26H,2-5,9,14H2,1H3,(H,23,27)
InChIKeyINCXLOIITHWYDT-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.59
Rot. Bonds9

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

7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide (PubChem CID 90681034) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide.

Molecular Properties

Compound Name7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide
PubChem CID90681034
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCCO)c3)o2)cc1
InChIInChI=1S/C22H25N3O3/c1-16-10-12-17(13-11-16)21-24-25-22(28-21)18-7-6-8-19(15-18)23-20(27)9-4-2-3-5-14-26/h6-8,10-13,15,26H,2-5,9,14H2,1H3,(H,23,27)
InChIKeyINCXLOIITHWYDT-UHFFFAOYSA-N
XLogP4.59
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide?
The IUPAC name of 7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide (CID 90681034) is 7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide.
What is the SMILES notation for 7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide?
The canonical SMILES for 7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide is Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCCO)c3)o2)cc1.
What is the InChIKey of 7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide?
The InChIKey is INCXLOIITHWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-10-12-17(13-11-16)21-24-25-22(28-21)18-7-6-8-19(15-18)23-20(27)9-4-2-3-5-14-26/h6-8,10-13,15,26H,2-5,9,14H2,1H3,(H,23,27).
What are the key properties of 7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide?
7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide has a molecular weight of 379.46 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]heptanamide is sourced from PubChem (CID 90681034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).