8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

C14H16BrNO2 — CID 91102364

IUPAC8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCOc1ccc(Br)c2c1CC1(CC2)COC(C)=N1
InChIInChI=1S/C14H16BrNO2/c1-9-16-14(8-18-9)6-5-10-11(7-14)13(17-2)4-3-12(10)15/h3-4H,5-8H2,1-2H3
InChIKeyVGLIARUXKRMQOX-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.13
Rot. Bonds1

About 8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (PubChem CID 91102364) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
PubChem CID91102364
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCOc1ccc(Br)c2c1CC1(CC2)COC(C)=N1
InChIInChI=1S/C14H16BrNO2/c1-9-16-14(8-18-9)6-5-10-11(7-14)13(17-2)4-3-12(10)15/h3-4H,5-8H2,1-2H3
InChIKeyVGLIARUXKRMQOX-UHFFFAOYSA-N
XLogP3.13
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The IUPAC name of 8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (CID 91102364) is 8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].
What is the SMILES notation for 8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The canonical SMILES for 8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is COc1ccc(Br)c2c1CC1(CC2)COC(C)=N1.
What is the InChIKey of 8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The InChIKey is VGLIARUXKRMQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-9-16-14(8-18-9)6-5-10-11(7-14)13(17-2)4-3-12(10)15/h3-4H,5-8H2,1-2H3.
What are the key properties of 8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] has a molecular weight of 310.19 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is sourced from PubChem (CID 91102364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).