3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine

C9H17N3O2 — CID 62595619

IUPAC3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCc1noc(NCC(C)C)n1
InChIInChI=1S/C9H17N3O2/c1-7(2)6-10-9-11-8(12-14-9)4-5-13-3/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyFBPKMQGIEMXGIN-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.33
Rot. Bonds6

About 3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine

3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62595619) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
PubChem CID62595619
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCc1noc(NCC(C)C)n1
InChIInChI=1S/C9H17N3O2/c1-7(2)6-10-9-11-8(12-14-9)4-5-13-3/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyFBPKMQGIEMXGIN-UHFFFAOYSA-N
XLogP1.33
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (CID 62595619) is 3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is COCCc1noc(NCC(C)C)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is FBPKMQGIEMXGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(2)6-10-9-11-8(12-14-9)4-5-13-3/h7H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of 3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 199.25 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).