4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine

C15H16N2O3 — CID 117433533

IUPAC4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine
SMILESCc1cc2c(cc1-c1cnoc1N)OCC1(CC1)CO2
InChIInChI=1S/C15H16N2O3/c1-9-4-12-13(19-8-15(2-3-15)7-18-12)5-10(9)11-6-17-20-14(11)16/h4-6H,2-3,7-8,16H2,1H3
InChIKeyFPSDAYHRUMVTKI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.78
Rot. Bonds1

About 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine

4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine (PubChem CID 117433533) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine
PubChem CID117433533
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine
SMILESCc1cc2c(cc1-c1cnoc1N)OCC1(CC1)CO2
InChIInChI=1S/C15H16N2O3/c1-9-4-12-13(19-8-15(2-3-15)7-18-12)5-10(9)11-6-17-20-14(11)16/h4-6H,2-3,7-8,16H2,1H3
InChIKeyFPSDAYHRUMVTKI-UHFFFAOYSA-N
XLogP2.78
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine with MolForge

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Related Compounds

6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol
CID 117313712
4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine
CID 117325905
4-(2,3,4,5-tetramethylphenyl)-1,2-oxazol-5-amine
CID 117308300
4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117367649
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378364
5-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117485399
4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine
CID 117446934
3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)propan-1-amine
CID 117371036
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol
CID 117294489
4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344235

Frequently Asked Questions

What is the IUPAC name of 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine (CID 117433533) is 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine is Cc1cc2c(cc1-c1cnoc1N)OCC1(CC1)CO2.
What is the InChIKey of 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine?
The InChIKey is FPSDAYHRUMVTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-4-12-13(19-8-15(2-3-15)7-18-12)5-10(9)11-6-17-20-14(11)16/h4-6H,2-3,7-8,16H2,1H3.
What are the key properties of 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine?
4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine has a molecular weight of 272.30 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117433533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).