1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]

C13H16N2O — CID 5091508

IUPAC1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12CC=NO2
InChIInChI=1S/C13H16N2O/c1-12(2)10-6-4-5-7-11(10)15(3)13(12)8-9-14-16-13/h4-7,9H,8H2,1-3H3
InChIKeySELZFPWJTBQJEE-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.52
Rot. Bonds

About 1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]

1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole] (PubChem CID 5091508) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole].

Molecular Properties

Compound Name1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]
PubChem CID5091508
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12CC=NO2
InChIInChI=1S/C13H16N2O/c1-12(2)10-6-4-5-7-11(10)15(3)13(12)8-9-14-16-13/h4-7,9H,8H2,1-3H3
InChIKeySELZFPWJTBQJEE-UHFFFAOYSA-N
XLogP2.52
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]?
The IUPAC name of 1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole] (CID 5091508) is 1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole].
What is the SMILES notation for 1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]?
The canonical SMILES for 1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole] is CN1c2ccccc2C(C)(C)C12CC=NO2.
What is the InChIKey of 1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]?
The InChIKey is SELZFPWJTBQJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-12(2)10-6-4-5-7-11(10)15(3)13(12)8-9-14-16-13/h4-7,9H,8H2,1-3H3.
What are the key properties of 1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]?
1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole] has a molecular weight of 216.28 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole] is sourced from PubChem (CID 5091508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).