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

C10H17N3O2 — CID 62696516

IUPACcyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCCOCc1noc(C(N)C2CC2)n1
InChIInChI=1S/C10H17N3O2/c1-2-5-14-6-8-12-10(15-13-8)9(11)7-3-4-7/h7,9H,2-6,11H2,1H3
InChIKeyACTMPAWSYCOUJO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.41
Rot. Bonds6

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

cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 62696516) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID62696516
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namecyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCCOCc1noc(C(N)C2CC2)n1
InChIInChI=1S/C10H17N3O2/c1-2-5-14-6-8-12-10(15-13-8)9(11)7-3-4-7/h7,9H,2-6,11H2,1H3
InChIKeyACTMPAWSYCOUJO-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
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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Related Compounds

cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 106814551
(1S)-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880958
5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
CID 55243254
3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114917967
cyclohexyl-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65130103
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350881
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
CID 62342821
cyclopropyl-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 62695171
5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazol-3-amine
CID 65416408
N-methyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202433
[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 55108529
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94241265

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 62696516) is cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine is CCCOCc1noc(C(N)C2CC2)n1.
What is the InChIKey of cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ACTMPAWSYCOUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-14-6-8-12-10(15-13-8)9(11)7-3-4-7/h7,9H,2-6,11H2,1H3.
What are the key properties of cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine?
cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 211.26 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 62696516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).