2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile

C18H18N4O2 — CID 8689347

IUPAC2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile
SMILESCCCN(Cc1nnc(-c2ccco2)o1)Cc1ccccc1C#N
InChIInChI=1S/C18H18N4O2/c1-2-9-22(12-15-7-4-3-6-14(15)11-19)13-17-20-21-18(24-17)16-8-5-10-23-16/h3-8,10H,2,9,12-13H2,1H3
InChIKeyVUNZOLYMNLUZNG-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.61
Rot. Bonds7

About 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile

2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile (PubChem CID 8689347) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile
PubChem CID8689347
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile
SMILESCCCN(Cc1nnc(-c2ccco2)o1)Cc1ccccc1C#N
InChIInChI=1S/C18H18N4O2/c1-2-9-22(12-15-7-4-3-6-14(15)11-19)13-17-20-21-18(24-17)16-8-5-10-23-16/h3-8,10H,2,9,12-13H2,1H3
InChIKeyVUNZOLYMNLUZNG-UHFFFAOYSA-N
XLogP3.61
TPSA79.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 18088460
N-(4-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371601
N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371265
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide
CID 9371658
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]-N-propylacetamide
CID 8689520
N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(propylcarbamoyl)acetamide
CID 9370842
ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate
CID 9371489
N-(1,3-benzodioxol-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371333
N-ethyl-2-[ethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
CID 8682611
N-(4-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371596
N-[1-(2-bromophenyl)ethyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 60505670

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile?
The IUPAC name of 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile (CID 8689347) is 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile.
What is the SMILES notation for 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile?
The canonical SMILES for 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile is CCCN(Cc1nnc(-c2ccco2)o1)Cc1ccccc1C#N.
What is the InChIKey of 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile?
The InChIKey is VUNZOLYMNLUZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-9-22(12-15-7-4-3-6-14(15)11-19)13-17-20-21-18(24-17)16-8-5-10-23-16/h3-8,10H,2,9,12-13H2,1H3.
What are the key properties of 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile?
2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile has a molecular weight of 322.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile is sourced from PubChem (CID 8689347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).