5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine

C12H10F2N2O3 — CID 117423939

IUPAC5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(C(F)F)cc3c2OCCO3)on1
InChIInChI=1S/C12H10F2N2O3/c13-12(14)6-3-7(8-5-10(15)16-19-8)11-9(4-6)17-1-2-18-11/h3-5,12H,1-2H2,(H2,15,16)
InChIKeyRTEVPWGPFGUJMR-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.63
Rot. Bonds2

About 5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine

5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine (PubChem CID 117423939) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine
PubChem CID117423939
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(C(F)F)cc3c2OCCO3)on1
InChIInChI=1S/C12H10F2N2O3/c13-12(14)6-3-7(8-5-10(15)16-19-8)11-9(4-6)17-1-2-18-11/h3-5,12H,1-2H2,(H2,15,16)
InChIKeyRTEVPWGPFGUJMR-UHFFFAOYSA-N
XLogP2.63
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine
CID 117367117
5-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117495870
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine
CID 117344208
5-[7-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]-1,2-oxazol-3-amine
CID 117445855
5-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117349709
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049
3-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]-1-methylpyrazol-5-amine
CID 117421184
O-[2-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethyl]hydroxylamine
CID 117364283
1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopentan-1-amine
CID 117426242
5-(6-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454781
5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117317439
1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone
CID 84691746

Frequently Asked Questions

What is the IUPAC name of 5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine (CID 117423939) is 5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine is Nc1cc(-c2cc(C(F)F)cc3c2OCCO3)on1.
What is the InChIKey of 5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine?
The InChIKey is RTEVPWGPFGUJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c13-12(14)6-3-7(8-5-10(15)16-19-8)11-9(4-6)17-1-2-18-11/h3-5,12H,1-2H2,(H2,15,16).
What are the key properties of 5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine?
5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine has a molecular weight of 268.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117423939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).