N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine

C10H17N3O2 — CID 116730928

IUPACN-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine
SMILESCCCC(OC)c1noc(NC2CC2)n1
InChIInChI=1S/C10H17N3O2/c1-3-4-8(14-2)9-12-10(15-13-9)11-7-5-6-7/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyIYFYSPITVRWJDQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.13
Rot. Bonds6

About N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine

N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine (PubChem CID 116730928) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine
PubChem CID116730928
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine
SMILESCCCC(OC)c1noc(NC2CC2)n1
InChIInChI=1S/C10H17N3O2/c1-3-4-8(14-2)9-12-10(15-13-9)11-7-5-6-7/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyIYFYSPITVRWJDQ-UHFFFAOYSA-N
XLogP2.13
TPSA60.18 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-cyclopropyl-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733230
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733247
[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963886
2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733253
2-[[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483653
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 116702661
N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine
CID 116730899
3-(1-ethoxybutyl)-N-ethyl-1,2,4-oxadiazol-5-amine
CID 116730902
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116702739
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116702582
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733235
2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116702512

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine (CID 116730928) is N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine is CCCC(OC)c1noc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is IYFYSPITVRWJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-8(14-2)9-12-10(15-13-9)11-7-5-6-7/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 211.26 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-methoxybutyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116730928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).