5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine

C17H21BrN2O2 — CID 121273818

IUPAC5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCC1(C2Cc3ccc(Br)cc3C23COC(N)=N3)CCOCC1
InChIInChI=1S/C17H21BrN2O2/c1-16(4-6-21-7-5-16)14-8-11-2-3-12(18)9-13(11)17(14)10-22-15(19)20-17/h2-3,9,14H,4-8,10H2,1H3,(H2,19,20)
InChIKeyXKNQTZYGCWHIMQ-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.98
Rot. Bonds1

About 5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine

5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 121273818) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID121273818
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCC1(C2Cc3ccc(Br)cc3C23COC(N)=N3)CCOCC1
InChIInChI=1S/C17H21BrN2O2/c1-16(4-6-21-7-5-16)14-8-11-2-3-12(18)9-13(11)17(14)10-22-15(19)20-17/h2-3,9,14H,4-8,10H2,1H3,(H2,19,20)
InChIKeyXKNQTZYGCWHIMQ-UHFFFAOYSA-N
XLogP2.98
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(4aS,9aR)-7-bromo-2-ethoxyspiro[1,2,3,4,4a,9a-hexahydroxanthene-9,4'-5H-1,3-oxazole]-2'-amine
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N-(5-bromo-2-chlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298479
(4aR,10R,10aR)-8-(5-chloro-3-pyridinyl)-7-fluoro-4a-methylspiro[1,3,4,10a-tetrahydropyrano[4,3-b]chromene-10,4'-5H-1,3-oxazole]-2'-amine
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine (CID 121273818) is 5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine is CC1(C2Cc3ccc(Br)cc3C23COC(N)=N3)CCOCC1.
What is the InChIKey of 5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is XKNQTZYGCWHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-16(4-6-21-7-5-16)14-8-11-2-3-12(18)9-13(11)17(14)10-22-15(19)20-17/h2-3,9,14H,4-8,10H2,1H3,(H2,19,20).
What are the key properties of 5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine?
5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 365.27 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 121273818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).