3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile

C14H19N5O2 — CID 106523603

IUPAC3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile
SMILESCCN(CC)CCc1noc(Cc2noc(C)c2C#N)n1
InChIInChI=1S/C14H19N5O2/c1-4-19(5-2)7-6-13-16-14(21-18-13)8-12-11(9-15)10(3)20-17-12/h4-8H2,1-3H3
InChIKeyREYJDSFMRRQNPL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.71
Rot. Bonds7

About 3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile

3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile (PubChem CID 106523603) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile
PubChem CID106523603
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile
SMILESCCN(CC)CCc1noc(Cc2noc(C)c2C#N)n1
InChIInChI=1S/C14H19N5O2/c1-4-19(5-2)7-6-13-16-14(21-18-13)8-12-11(9-15)10(3)20-17-12/h4-8H2,1-3H3
InChIKeyREYJDSFMRRQNPL-UHFFFAOYSA-N
XLogP1.71
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile (CID 106523603) is 3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile is CCN(CC)CCc1noc(Cc2noc(C)c2C#N)n1.
What is the InChIKey of 3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile?
The InChIKey is REYJDSFMRRQNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-19(5-2)7-6-13-16-14(21-18-13)8-12-11(9-15)10(3)20-17-12/h4-8H2,1-3H3.
What are the key properties of 3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile?
3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 106523603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).