4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine

C13H11ClN2O3 — CID 117446934

IUPAC4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc2c(cc1Cl)OC1(CCC1)O2
InChIInChI=1S/C13H11ClN2O3/c14-9-5-11-10(17-13(18-11)2-1-3-13)4-7(9)8-6-16-19-12(8)15/h4-6H,1-3,15H2
InChIKeyGUICYCBUOXNJQE-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.23
Rot. Bonds1

About 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine

4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine (PubChem CID 117446934) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine
PubChem CID117446934
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc2c(cc1Cl)OC1(CCC1)O2
InChIInChI=1S/C13H11ClN2O3/c14-9-5-11-10(17-13(18-11)2-1-3-13)4-7(9)8-6-16-19-12(8)15/h4-6H,1-3,15H2
InChIKeyGUICYCBUOXNJQE-UHFFFAOYSA-N
XLogP3.23
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine with MolForge

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Related Compounds

4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine
CID 117362249
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117339591
4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine
CID 117433533
1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol
CID 117420668
4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117333106
4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine
CID 117325905
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378364
spiro[[1,3]dioxolo[4,5-c]pyridine-2,1'-cyclopentane]-6-carbaldehyde
CID 104826749
1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclobutane-1-carboxylic acid
CID 117493597
4-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
CID 117349722
2-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanol
CID 117354034

Frequently Asked Questions

What is the IUPAC name of 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine (CID 117446934) is 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1cc2c(cc1Cl)OC1(CCC1)O2.
What is the InChIKey of 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine?
The InChIKey is GUICYCBUOXNJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-9-5-11-10(17-13(18-11)2-1-3-13)4-7(9)8-6-16-19-12(8)15/h4-6H,1-3,15H2.
What are the key properties of 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine?
4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine has a molecular weight of 278.69 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117446934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).