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

C14H15N3O3 — CID 61324642

IUPACcyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(-c2cccc3c2OCCO3)n1)C1CC1
InChIInChI=1S/C14H15N3O3/c15-11(8-4-5-8)13-16-14(20-17-13)9-2-1-3-10-12(9)19-7-6-18-10/h1-3,8,11H,4-7,15H2
InChIKeyZVLPFPIWFUPETB-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.92
Rot. Bonds3

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

cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61324642) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61324642
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namecyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(-c2cccc3c2OCCO3)n1)C1CC1
InChIInChI=1S/C14H15N3O3/c15-11(8-4-5-8)13-16-14(20-17-13)9-2-1-3-10-12(9)19-7-6-18-10/h1-3,8,11H,4-7,15H2
InChIKeyZVLPFPIWFUPETB-UHFFFAOYSA-N
XLogP1.92
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine with MolForge

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Related Compounds

1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660825
1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096087
[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325661
(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride
CID 171213604
cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62874824
[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325038
[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325046
cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61325253
cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324851
[5-(2-bromo-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 81117399
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 104672139

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61324642) is cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine is NC(c1noc(-c2cccc3c2OCCO3)n1)C1CC1.
What is the InChIKey of cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is ZVLPFPIWFUPETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-11(8-4-5-8)13-16-14(20-17-13)9-2-1-3-10-12(9)19-7-6-18-10/h1-3,8,11H,4-7,15H2.
What are the key properties of cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 273.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61324642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).