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

C25H30N4O3 — CID 90681051

IUPACN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C25H30N4O3/c1-19-9-11-20(12-10-19)24-27-28-25(32-24)21-6-5-7-22(18-21)26-23(30)8-3-2-4-13-29-14-16-31-17-15-29/h5-7,9-12,18H,2-4,8,13-17H2,1H3,(H,26,30)
InChIKeyBLGVEQFTSMQVDF-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.54
Rot. Bonds9

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

N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide (PubChem CID 90681051) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide.

Molecular Properties

Compound NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide
PubChem CID90681051
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C25H30N4O3/c1-19-9-11-20(12-10-19)24-27-28-25(32-24)21-6-5-7-22(18-21)26-23(30)8-3-2-4-13-29-14-16-31-17-15-29/h5-7,9-12,18H,2-4,8,13-17H2,1H3,(H,26,30)
InChIKeyBLGVEQFTSMQVDF-UHFFFAOYSA-N
XLogP4.54
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide?
The IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide (CID 90681051) is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide.
What is the SMILES notation for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide?
The canonical SMILES for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide is Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCCCN4CCOCC4)c3)o2)cc1.
What is the InChIKey of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide?
The InChIKey is BLGVEQFTSMQVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-19-9-11-20(12-10-19)24-27-28-25(32-24)21-6-5-7-22(18-21)26-23(30)8-3-2-4-13-29-14-16-31-17-15-29/h5-7,9-12,18H,2-4,8,13-17H2,1H3,(H,26,30).
What are the key properties of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide?
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide has a molecular weight of 434.54 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-6-morpholin-4-ylhexanamide is sourced from PubChem (CID 90681051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).