8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine

C12H13BrN2O — CID 89458507

IUPAC8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
SMILESNC1=NCC2(CCc3c(Br)cccc3C2)O1
InChIInChI=1S/C12H13BrN2O/c13-10-3-1-2-8-6-12(5-4-9(8)10)7-15-11(14)16-12/h1-3H,4-7H2,(H2,14,15)
InChIKeyCQWZFJVGSYEGFA-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.02
Rot. Bonds

About 8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine

8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine (PubChem CID 89458507) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
PubChem CID89458507
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
SMILESNC1=NCC2(CCc3c(Br)cccc3C2)O1
InChIInChI=1S/C12H13BrN2O/c13-10-3-1-2-8-6-12(5-4-9(8)10)7-15-11(14)16-12/h1-3H,4-7H2,(H2,14,15)
InChIKeyCQWZFJVGSYEGFA-UHFFFAOYSA-N
XLogP2.02
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 58466784
(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanetriol
CID 91335874
(8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide
CID 58467168
4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433537
2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one
CID 71263668
4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole]
CID 166068229
N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide
CID 58467128
(2-amino-8-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 58466832
5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 128958622
6-bromo-1'-methoxyspiro[3H-chromene-2,6'-5,7,8,9-tetrahydrobenzo[7]annulene]-4-one
CID 58424216
spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 76794778

Frequently Asked Questions

What is the IUPAC name of 8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine?
The IUPAC name of 8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine (CID 89458507) is 8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine?
The canonical SMILES for 8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine is NC1=NCC2(CCc3c(Br)cccc3C2)O1.
What is the InChIKey of 8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine?
The InChIKey is CQWZFJVGSYEGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-10-3-1-2-8-6-12(5-4-9(8)10)7-15-11(14)16-12/h1-3H,4-7H2,(H2,14,15).
What are the key properties of 8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine?
8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine has a molecular weight of 281.15 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 89458507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).