cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine

C10H17N3O2 — CID 106814551

IUPACcyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCOCCc1noc(C(N)C2CC2)n1
InChIInChI=1S/C10H17N3O2/c1-2-14-6-5-8-12-10(15-13-8)9(11)7-3-4-7/h7,9H,2-6,11H2,1H3
InChIKeyPMTIFBFIAVKHFG-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.06
Rot. Bonds6

About cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine

cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 106814551) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID106814551
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namecyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCOCCc1noc(C(N)C2CC2)n1
InChIInChI=1S/C10H17N3O2/c1-2-14-6-5-8-12-10(15-13-8)9(11)7-3-4-7/h7,9H,2-6,11H2,1H3
InChIKeyPMTIFBFIAVKHFG-UHFFFAOYSA-N
XLogP1.06
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 106814551) is cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine is CCOCCc1noc(C(N)C2CC2)n1.
What is the InChIKey of cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is PMTIFBFIAVKHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-14-6-5-8-12-10(15-13-8)9(11)7-3-4-7/h7,9H,2-6,11H2,1H3.
What are the key properties of cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine?
cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 211.26 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 106814551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).