2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol

C13H16N2O2 — CID 91343951

IUPAC2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol
SMILESCc1cccc2c1CC1(C2)N=C(N)OC1(C)O
InChIInChI=1S/C13H16N2O2/c1-8-4-3-5-9-6-13(7-10(8)9)12(2,16)17-11(14)15-13/h3-5,16H,6-7H2,1-2H3,(H2,14,15)
InChIKeySNXVGJGNFSZYJC-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.89
Rot. Bonds

About 2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol

2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol (PubChem CID 91343951) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol.

Molecular Properties

Compound Name2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol
PubChem CID91343951
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol
SMILESCc1cccc2c1CC1(C2)N=C(N)OC1(C)O
InChIInChI=1S/C13H16N2O2/c1-8-4-3-5-9-6-13(7-10(8)9)12(2,16)17-11(14)15-13/h3-5,16H,6-7H2,1-2H3,(H2,14,15)
InChIKeySNXVGJGNFSZYJC-UHFFFAOYSA-N
XLogP0.89
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol?
The IUPAC name of 2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol (CID 91343951) is 2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol.
What is the SMILES notation for 2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol?
The canonical SMILES for 2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol is Cc1cccc2c1CC1(C2)N=C(N)OC1(C)O.
What is the InChIKey of 2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol?
The InChIKey is SNXVGJGNFSZYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-4-3-5-9-6-13(7-10(8)9)12(2,16)17-11(14)15-13/h3-5,16H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol?
2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol has a molecular weight of 232.28 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-4,5'-dimethylspiro[1,3-dihydroindene-2,4'-1,3-oxazole]-5'-ol is sourced from PubChem (CID 91343951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).