3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one

C12H11NO2 — CID 58433195

IUPAC3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
SMILESCC1=NOC2(C1)Cc1ccccc1C2=O
InChIInChI=1S/C12H11NO2/c1-8-6-12(15-13-8)7-9-4-2-3-5-10(9)11(12)14/h2-5H,6-7H2,1H3
InChIKeyLMAOFLSJGJEKAA-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.96
Rot. Bonds

About 3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one

3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one (PubChem CID 58433195) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one.

Molecular Properties

Compound Name3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
PubChem CID58433195
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
SMILESCC1=NOC2(C1)Cc1ccccc1C2=O
InChIInChI=1S/C12H11NO2/c1-8-6-12(15-13-8)7-9-4-2-3-5-10(9)11(12)14/h2-5H,6-7H2,1H3
InChIKeyLMAOFLSJGJEKAA-UHFFFAOYSA-N
XLogP1.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The IUPAC name of 3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one (CID 58433195) is 3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one.
What is the SMILES notation for 3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The canonical SMILES for 3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one is CC1=NOC2(C1)Cc1ccccc1C2=O.
What is the InChIKey of 3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
The InChIKey is LMAOFLSJGJEKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-6-12(15-13-8)7-9-4-2-3-5-10(9)11(12)14/h2-5H,6-7H2,1H3.
What are the key properties of 3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one?
3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one has a molecular weight of 201.23 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methylspiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one is sourced from PubChem (CID 58433195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).