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

C14H18N2O — CID 2998281

IUPAC1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole]
SMILESCC1=NOC2(C1)N(C)c1ccccc1C2(C)C
InChIInChI=1S/C14H18N2O/c1-10-9-14(17-15-10)13(2,3)11-7-5-6-8-12(11)16(14)4/h5-8H,9H2,1-4H3
InChIKeyGHTQMJHSIVKCMG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.91
Rot. Bonds

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

1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole] (PubChem CID 2998281) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole].

Molecular Properties

Compound Name1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole]
PubChem CID2998281
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole]
SMILESCC1=NOC2(C1)N(C)c1ccccc1C2(C)C
InChIInChI=1S/C14H18N2O/c1-10-9-14(17-15-10)13(2,3)11-7-5-6-8-12(11)16(14)4/h5-8H,9H2,1-4H3
InChIKeyGHTQMJHSIVKCMG-UHFFFAOYSA-N
XLogP2.91
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole]?
The IUPAC name of 1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole] (CID 2998281) is 1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole].
What is the SMILES notation for 1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole]?
The canonical SMILES for 1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole] is CC1=NOC2(C1)N(C)c1ccccc1C2(C)C.
What is the InChIKey of 1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole]?
The InChIKey is GHTQMJHSIVKCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-9-14(17-15-10)13(2,3)11-7-5-6-8-12(11)16(14)4/h5-8H,9H2,1-4H3.
What are the key properties of 1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole]?
1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole] has a molecular weight of 230.31 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3,3',3'-tetramethylspiro[4H-1,2-oxazole-5,2'-indole] is sourced from PubChem (CID 2998281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).