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

C11H10N2O3 — CID 117310663

IUPAC4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cccc2c1OCCO2
InChIInChI=1S/C11H10N2O3/c12-11-8(6-13-16-11)7-2-1-3-9-10(7)15-5-4-14-9/h1-3,6H,4-5,12H2
InChIKeySQTYEVHVKRRSDP-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.70
Rot. Bonds1

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

4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine (PubChem CID 117310663) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
PubChem CID117310663
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cccc2c1OCCO2
InChIInChI=1S/C11H10N2O3/c12-11-8(6-13-16-11)7-2-1-3-9-10(7)15-5-4-14-9/h1-3,6H,4-5,12H2
InChIKeySQTYEVHVKRRSDP-UHFFFAOYSA-N
XLogP1.70
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine (CID 117310663) is 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1cccc2c1OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The InChIKey is SQTYEVHVKRRSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-11-8(6-13-16-11)7-2-1-3-9-10(7)15-5-4-14-9/h1-3,6H,4-5,12H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine has a molecular weight of 218.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117310663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).