1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

C13H21N5O2 — CID 116704210

IUPAC1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESCCOC(c1noc(Cn2cc(N)cn2)n1)C(C)(C)C
InChIInChI=1S/C13H21N5O2/c1-5-19-11(13(2,3)4)12-16-10(20-17-12)8-18-7-9(14)6-15-18/h6-7,11H,5,8,14H2,1-4H3
InChIKeyCQDODDHABJQJHL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.02
Rot. Bonds5

About 1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 116704210) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID116704210
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESCCOC(c1noc(Cn2cc(N)cn2)n1)C(C)(C)C
InChIInChI=1S/C13H21N5O2/c1-5-19-11(13(2,3)4)12-16-10(20-17-12)8-18-7-9(14)6-15-18/h6-7,11H,5,8,14H2,1-4H3
InChIKeyCQDODDHABJQJHL-UHFFFAOYSA-N
XLogP2.02
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 116704210) is 1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is CCOC(c1noc(Cn2cc(N)cn2)n1)C(C)(C)C.
What is the InChIKey of 1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is CQDODDHABJQJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-5-19-11(13(2,3)4)12-16-10(20-17-12)8-18-7-9(14)6-15-18/h6-7,11H,5,8,14H2,1-4H3.
What are the key properties of 1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 279.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 116704210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).