5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine

C10H9N3O3 — CID 28938024

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C10H9N3O3/c11-10-13-12-9(16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2,(H2,11,13)
InChIKeyOGKQGHXOQYDRAM-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.09
Rot. Bonds1

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 28938024) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine
PubChem CID28938024
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C10H9N3O3/c11-10-13-12-9(16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2,(H2,11,13)
InChIKeyOGKQGHXOQYDRAM-UHFFFAOYSA-N
XLogP1.09
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 4443990
5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 256462
1,3,4-Oxadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-
CID 3067251
5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 356902
5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 679504
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-phenylpropanamide
CID 3303968
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]butanamide
CID 5058055
2-(3,4-Dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 683351
2-(3,4-Dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 755411
2-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazole
CID 653848
2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 684605
5-(4-Ethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 2369673

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine (CID 28938024) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc3c(c2)OCCO3)o1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OGKQGHXOQYDRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-10-13-12-9(16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2,(H2,11,13).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 219.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 28938024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).