3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine

C11H8ClFN2O3 — CID 117429491

IUPAC3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)c(Cl)cc3c2OCCO3)no1
InChIInChI=1S/C11H8ClFN2O3/c12-5-3-7-11(17-2-1-16-7)9(10(5)13)6-4-8(14)18-15-6/h3-4H,1-2,14H2
InChIKeyBZLDOTZRXDPROJ-UHFFFAOYSA-N
MW270.65 g/mol
LogP2.49
Rot. Bonds1

About 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine

3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine (PubChem CID 117429491) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
PubChem CID117429491
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)c(Cl)cc3c2OCCO3)no1
InChIInChI=1S/C11H8ClFN2O3/c12-5-3-7-11(17-2-1-16-7)9(10(5)13)6-4-8(14)18-15-6/h3-4H,1-2,14H2
InChIKeyBZLDOTZRXDPROJ-UHFFFAOYSA-N
XLogP2.49
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-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

3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117420567
5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136992021
5-(5-amino-1,2-oxazol-3-yl)-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136942211
6-(5-amino-1,2-oxazol-3-yl)-8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 136995197
5-(5-amino-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117339872
3-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-5-amine
CID 117409856
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol
CID 137011592
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112406
3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117325884
3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378355
4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
CID 137011591
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 117372927

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine (CID 117429491) is 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine is Nc1cc(-c2c(F)c(Cl)cc3c2OCCO3)no1.
What is the InChIKey of 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The InChIKey is BZLDOTZRXDPROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c12-5-3-7-11(17-2-1-16-7)9(10(5)13)6-4-8(14)18-15-6/h3-4H,1-2,14H2.
What are the key properties of 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine?
3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine has a molecular weight of 270.65 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117429491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).