2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole

C19H22N2O2 — CID 44577822

IUPAC2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
SMILESc1ccc(CCCCCCCc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C19H22N2O2/c1(2-5-10-16-11-6-4-7-12-16)3-8-14-18-20-21-19(23-18)17-13-9-15-22-17/h4,6-7,9,11-13,15H,1-3,5,8,10,14H2
InChIKeyAQNZKADSRQDBJQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.07
Rot. Bonds9

About 2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole

2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole (PubChem CID 44577822) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
PubChem CID44577822
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
SMILESc1ccc(CCCCCCCc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C19H22N2O2/c1(2-5-10-16-11-6-4-7-12-16)3-8-14-18-20-21-19(23-18)17-13-9-15-22-17/h4,6-7,9,11-13,15H,1-3,5,8,10,14H2
InChIKeyAQNZKADSRQDBJQ-UHFFFAOYSA-N
XLogP5.07
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole (CID 44577822) is 2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole is c1ccc(CCCCCCCc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole?
The InChIKey is AQNZKADSRQDBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1(2-5-10-16-11-6-4-7-12-16)3-8-14-18-20-21-19(23-18)17-13-9-15-22-17/h4,6-7,9,11-13,15H,1-3,5,8,10,14H2.
What are the key properties of 2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole?
2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole has a molecular weight of 310.40 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole is sourced from PubChem (CID 44577822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).