6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol

C12H12N2O2 — CID 117308042

IUPAC6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol
SMILESNc1oncc1-c1cc2c(cc1O)CCC2
InChIInChI=1S/C12H12N2O2/c13-12-10(6-14-16-12)9-4-7-2-1-3-8(7)5-11(9)15/h4-6,15H,1-3,13H2
InChIKeyIQHSQQFNJCFVOY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.12
Rot. Bonds1

About 6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol

6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol (PubChem CID 117308042) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol
PubChem CID117308042
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol
SMILESNc1oncc1-c1cc2c(cc1O)CCC2
InChIInChI=1S/C12H12N2O2/c13-12-10(6-14-16-12)9-4-7-2-1-3-8(7)5-11(9)15/h4-6,15H,1-3,13H2
InChIKeyIQHSQQFNJCFVOY-UHFFFAOYSA-N
XLogP2.12
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol (CID 117308042) is 6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol is Nc1oncc1-c1cc2c(cc1O)CCC2.
What is the InChIKey of 6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is IQHSQQFNJCFVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-12-10(6-14-16-12)9-4-7-2-1-3-8(7)5-11(9)15/h4-6,15H,1-3,13H2.
What are the key properties of 6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol?
6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 216.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 117308042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).