4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile

C17H22N4O — CID 56818769

IUPAC4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile
SMILESCCN(Cc1noc(C(C)C)n1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C17H22N4O/c1-5-21(11-16-19-17(12(2)3)22-20-16)13(4)15-8-6-14(10-18)7-9-15/h6-9,12-13H,5,11H2,1-4H3
InChIKeyFZFPGHMQWMAVRI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.65
Rot. Bonds6

About 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile

4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile (PubChem CID 56818769) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile
PubChem CID56818769
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile
SMILESCCN(Cc1noc(C(C)C)n1)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C17H22N4O/c1-5-21(11-16-19-17(12(2)3)22-20-16)13(4)15-8-6-14(10-18)7-9-15/h6-9,12-13H,5,11H2,1-4H3
InChIKeyFZFPGHMQWMAVRI-UHFFFAOYSA-N
XLogP3.65
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile with MolForge

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Related Compounds

4-[[methyl-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzonitrile
CID 94104043
4-[1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]ethyl]benzonitrile
CID 55989637
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile
CID 70705731
3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile
CID 131940037
2-[carboxymethyl-[1-(4-cyanophenyl)ethyl]amino]acetic acid
CID 65065694
4-[1-[ethyl-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]amino]ethyl]benzonitrile
CID 55989894
4-[1-[ethyl(piperidin-2-ylmethyl)amino]ethyl]benzonitrile
CID 106622496
2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111122549
4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
CID 106624478
2-[1-(4-cyanophenyl)ethyl-ethylamino]-N-(2,4,5-trichlorophenyl)acetamide
CID 55766373
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415

Frequently Asked Questions

What is the IUPAC name of 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile (CID 56818769) is 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile is CCN(Cc1noc(C(C)C)n1)C(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile?
The InChIKey is FZFPGHMQWMAVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-21(11-16-19-17(12(2)3)22-20-16)13(4)15-8-6-14(10-18)7-9-15/h6-9,12-13H,5,11H2,1-4H3.
What are the key properties of 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile?
4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile has a molecular weight of 298.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile is sourced from PubChem (CID 56818769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).