6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine

C14H15BrN2O2 — CID 86724233

IUPAC—
SMILESNC1=NC2(CO1)c1cc(Br)ccc1OCC21CCC1
InChIInChI=1S/C14H15BrN2O2/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17)
InChIKeyGOBYJQFUBCMBOX-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.55
Rot. Bonds

About 6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine

6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine (PubChem CID 86724233) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol.

Molecular Properties

Compound Name6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine
PubChem CID86724233
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name—
SMILESNC1=NC2(CO1)c1cc(Br)ccc1OCC21CCC1
InChIInChI=1S/C14H15BrN2O2/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17)
InChIKeyGOBYJQFUBCMBOX-UHFFFAOYSA-N
XLogP2.55
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine?
The IUPAC name of 6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine (CID 86724233) is not available.
What is the SMILES notation for 6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine?
The canonical SMILES for 6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine is NC1=NC2(CO1)c1cc(Br)ccc1OCC21CCC1.
What is the InChIKey of 6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine?
The InChIKey is GOBYJQFUBCMBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17).
What are the key properties of 6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine?
6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine has a molecular weight of 323.19 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine is sourced from PubChem (CID 86724233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).