(3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C12H13BrN2O — CID 58467273

IUPAC(3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESNC1=N[C@@]2(CCc3cc(Br)ccc3C2)CO1
InChIInChI=1S/C12H13BrN2O/c13-10-2-1-9-6-12(4-3-8(9)5-10)7-16-11(14)15-12/h1-2,5H,3-4,6-7H2,(H2,14,15)/t12-/m1/s1
InChIKeyAWZRAPPBFBRHBN-GFCCVEGCSA-N
MW281.15 g/mol
LogP2.02
Rot. Bonds

About (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

(3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467273) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467273
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name(3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESNC1=N[C@@]2(CCc3cc(Br)ccc3C2)CO1
InChIInChI=1S/C12H13BrN2O/c13-10-2-1-9-6-12(4-3-8(9)5-10)7-16-11(14)15-12/h1-2,5H,3-4,6-7H2,(H2,14,15)/t12-/m1/s1
InChIKeyAWZRAPPBFBRHBN-GFCCVEGCSA-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

Analyze (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine with MolForge

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Related Compounds

2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63630629
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-N-ethyl-2-methoxyacetamide
CID 70229908
8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 76794791
8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467280
5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
CID 70228414
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine
CID 121273818
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 57352291
6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632062
2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol
CID 58466630
7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione
CID 63632927
6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632235

Frequently Asked Questions

What is the IUPAC name of (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58467273) is (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is NC1=N[C@@]2(CCc3cc(Br)ccc3C2)CO1.
What is the InChIKey of (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is AWZRAPPBFBRHBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-10-2-1-9-6-12(4-3-8(9)5-10)7-16-11(14)15-12/h1-2,5H,3-4,6-7H2,(H2,14,15)/t12-/m1/s1.
What are the key properties of (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
(3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-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 (3R)-7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).