2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole

C24H38N2O2 — CID 69114351

IUPAC2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole
SMILESCCCCCCCCCCCCCCC/C=C/c1nnc(Cc2ccco2)o1
InChIInChI=1S/C24H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-25-26-24(28-23)21-22-18-17-20-27-22/h16-20H,2-15,21H2,1H3/b19-16+
InChIKeyAGACKIDSULDHTE-KNTRCKAVSA-N
MW386.58 g/mol
LogP7.75
Rot. Bonds17

About 2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole

2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole (PubChem CID 69114351) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole
PubChem CID69114351
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole
SMILESCCCCCCCCCCCCCCC/C=C/c1nnc(Cc2ccco2)o1
InChIInChI=1S/C24H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-25-26-24(28-23)21-22-18-17-20-27-22/h16-20H,2-15,21H2,1H3/b19-16+
InChIKeyAGACKIDSULDHTE-KNTRCKAVSA-N
XLogP7.75
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.75
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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Related Compounds

2-tridec-1-enylfuran
CID 76580057
2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
CID 67684448
2,5-bis(undec-1-enyl)furan
CID 90706742
N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide
CID 57320654
2-[[(E)-hex-1-enyl]sulfanylmethyl]furan
CID 15212982
2-[(E)-12,13-bis(methylsulfanyl)nonadec-1-enyl]furan
CID 10646033
[(E)-octadec-1-enyl]benzene
CID 22722345
2-[(E)-hex-2-enyl]furan
CID 13275150
1-(furan-2-yl)-N-octadec-9-enylmethanimine
CID 70204995
2-[(E)-dodec-1-enyl]pyridine
CID 166438666
(3E,6S,7E,9E)-17-(furan-2-yl)heptadeca-3,7,9-trien-6-ol
CID 162975231
3-bromo-6-[5-bromo-6-[(E)-tridec-1-enyl]-2-pyridinyl]-2-[(E)-tridec-1-enyl]pyridine
CID 132511935

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole (CID 69114351) is 2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole is CCCCCCCCCCCCCCC/C=C/c1nnc(Cc2ccco2)o1.
What is the InChIKey of 2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole?
The InChIKey is AGACKIDSULDHTE-KNTRCKAVSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-25-26-24(28-23)21-22-18-17-20-27-22/h16-20H,2-15,21H2,1H3/b19-16+.
What are the key properties of 2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole?
2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole has a molecular weight of 386.58 g/mol, XLogP of 7.75, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole is sourced from PubChem (CID 69114351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).