3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine

C9H17N3O2 — CID 116778204

IUPAC3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCCOC(C)(CC)c1noc(NC)n1
InChIInChI=1S/C9H17N3O2/c1-5-9(3,13-6-2)7-11-8(10-4)14-12-7/h5-6H2,1-4H3,(H,10,11,12)
InChIKeyTVICGVFTZUBJLZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.77
Rot. Bonds5

About 3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine

3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 116778204) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID116778204
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCCOC(C)(CC)c1noc(NC)n1
InChIInChI=1S/C9H17N3O2/c1-5-9(3,13-6-2)7-11-8(10-4)14-12-7/h5-6H2,1-4H3,(H,10,11,12)
InChIKeyTVICGVFTZUBJLZ-UHFFFAOYSA-N
XLogP1.77
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 56924306
ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 169237343
ethane;3-(methoxymethyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 169238091
N-ethyl-3-(propoxymethyl)-1,2,4-oxadiazol-5-amine
CID 62594094
3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594300
3-(methoxymethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 62595784
N-(2-methylpropyl)-3-(propoxymethyl)-1,2,4-oxadiazol-5-amine
CID 62595785
3-tert-butyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 62595969
N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 62595970
N-(2-methoxyethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62595971
N-(2-methoxyethyl)-3-propyl-1,2,4-oxadiazol-5-amine
CID 62595975
N-methyl-3-(propoxymethyl)-1,2,4-oxadiazol-5-amine
CID 62596126

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine (CID 116778204) is 3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine is CCOC(C)(CC)c1noc(NC)n1.
What is the InChIKey of 3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is TVICGVFTZUBJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-5-9(3,13-6-2)7-11-8(10-4)14-12-7/h5-6H2,1-4H3,(H,10,11,12).
What are the key properties of 3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine?
3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 199.25 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116778204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).