3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine

C10H6F2N2O3 — CID 117352451

IUPAC3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc3c2OC(F)(F)O3)no1
InChIInChI=1S/C10H6F2N2O3/c11-10(12)15-7-3-1-2-5(9(7)16-10)6-4-8(13)17-14-6/h1-4H,13H2
InChIKeyKCMIGCOEBXZXAI-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.25
Rot. Bonds1

About 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine

3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine (PubChem CID 117352451) has the molecular formula C10H6F2N2O3 and a molecular weight of 240.17 g/mol. Its IUPAC name is 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
PubChem CID117352451
Molecular FormulaC10H6F2N2O3
Molecular Weight240.17 g/mol
Exact Mass240.03
IUPAC Name3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc3c2OC(F)(F)O3)no1
InChIInChI=1S/C10H6F2N2O3/c11-10(12)15-7-3-1-2-5(9(7)16-10)6-4-8(13)17-14-6/h1-4H,13H2
InChIKeyKCMIGCOEBXZXAI-UHFFFAOYSA-N
XLogP2.25
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-bis(2,2-difluoro-1,3-benzodioxol-4-yl)pyridin-3-amine
CID 129244085
3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117299819
5-(2,2-difluoro-1,3-benzodioxol-4-yl)pyridine-3-carboxamide
CID 122561514
3-(2,3-dihydro-1-benzothiophen-7-yl)-1,2-oxazol-5-amine
CID 117311103
3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117314022
3-(3-chloro-1H-indol-4-yl)-1,2-oxazol-5-amine
CID 117339578
1-[2-(5-amino-1,2-oxazol-3-yl)phenyl]cyclopropan-1-ol
CID 115112305
3-(2-methyl-1-benzofuran-7-yl)-1,2-oxazol-5-amine
CID 117305291
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-methyl-1H-pyrrole;molecular hydrogen
CID 144607700
3-(5-amino-1,2-oxazol-3-yl)-1H-indol-4-ol
CID 136986010
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 138496706

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine (CID 117352451) is 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine is Nc1cc(-c2cccc3c2OC(F)(F)O3)no1.
What is the InChIKey of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is KCMIGCOEBXZXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O3/c11-10(12)15-7-3-1-2-5(9(7)16-10)6-4-8(13)17-14-6/h1-4H,13H2.
What are the key properties of 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine?
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 240.17 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117352451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).