N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine

C15H19N3O3 — CID 72848841

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC(C)c2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C15H19N3O3/c1-3-4-14-17-18-15(21-14)16-10(2)11-5-6-12-13(9-11)20-8-7-19-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyCIQYGWMDCGWTPM-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.97
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 72848841) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID72848841
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC(C)c2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C15H19N3O3/c1-3-4-14-17-18-15(21-14)16-10(2)11-5-6-12-13(9-11)20-8-7-19-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyCIQYGWMDCGWTPM-UHFFFAOYSA-N
XLogP2.97
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43720112
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]aniline
CID 43096444
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
N-(2-butoxyethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 61169295
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,6-difluoroaniline
CID 43123968
6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 95135138
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine
CID 79089648
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648902
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43195767
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]butan-1-ol
CID 106840592

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 72848841) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NC(C)c2ccc3c(c2)OCCO3)o1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is CIQYGWMDCGWTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-4-14-17-18-15(21-14)16-10(2)11-5-6-12-13(9-11)20-8-7-19-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 289.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72848841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).