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

C21H23N3O3 — CID 90681033

IUPAC6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCO)c3)o2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-9-11-16(12-10-15)20-23-24-21(27-20)17-6-5-7-18(14-17)22-19(26)8-3-2-4-13-25/h5-7,9-12,14,25H,2-4,8,13H2,1H3,(H,22,26)
InChIKeyZLZAADRIEQJPGZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.20
Rot. Bonds8

About 6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide

6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide (PubChem CID 90681033) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide.

Molecular Properties

Compound Name6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide
PubChem CID90681033
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCO)c3)o2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-9-11-16(12-10-15)20-23-24-21(27-20)17-6-5-7-18(14-17)22-19(26)8-3-2-4-13-25/h5-7,9-12,14,25H,2-4,8,13H2,1H3,(H,22,26)
InChIKeyZLZAADRIEQJPGZ-UHFFFAOYSA-N
XLogP4.20
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.20
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 6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide?
The IUPAC name of 6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide (CID 90681033) is 6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide.
What is the SMILES notation for 6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide?
The canonical SMILES for 6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide is Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCO)c3)o2)cc1.
What is the InChIKey of 6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide?
The InChIKey is ZLZAADRIEQJPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-9-11-16(12-10-15)20-23-24-21(27-20)17-6-5-7-18(14-17)22-19(26)8-3-2-4-13-25/h5-7,9-12,14,25H,2-4,8,13H2,1H3,(H,22,26).
What are the key properties of 6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide?
6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide has a molecular weight of 365.43 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]hexanamide is sourced from PubChem (CID 90681033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).