4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine

C13H12N2O3 — CID 117362249

IUPAC4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc2c(c1)OC1(CCC1)O2
InChIInChI=1S/C13H12N2O3/c14-12-9(7-15-18-12)8-2-3-10-11(6-8)17-13(16-10)4-1-5-13/h2-3,6-7H,1,4-5,14H2
InChIKeyJZSGANMJALTXRI-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.58
Rot. Bonds1

About 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine

4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine (PubChem CID 117362249) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine
PubChem CID117362249
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc2c(c1)OC1(CCC1)O2
InChIInChI=1S/C13H12N2O3/c14-12-9(7-15-18-12)8-2-3-10-11(6-8)17-13(16-10)4-1-5-13/h2-3,6-7H,1,4-5,14H2
InChIKeyJZSGANMJALTXRI-UHFFFAOYSA-N
XLogP2.58
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine
CID 117446934
4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine
CID 117314072
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117308055
4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine
CID 117334117
4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117414139
4-(1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 117289787
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcyclopropan-1-amine
CID 84794385
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
5-bromospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 15700682
4-(3-cyclopentylphenyl)-1,2-oxazol-5-amine
CID 117329061
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
CID 117291729
3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-pyrazole-5-carboxylic acid
CID 117461629

Frequently Asked Questions

What is the IUPAC name of 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine (CID 117362249) is 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine is Nc1oncc1-c1ccc2c(c1)OC1(CCC1)O2.
What is the InChIKey of 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine?
The InChIKey is JZSGANMJALTXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-12-9(7-15-18-12)8-2-3-10-11(6-8)17-13(16-10)4-1-5-13/h2-3,6-7H,1,4-5,14H2.
What are the key properties of 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine?
4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine has a molecular weight of 244.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 117362249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).