3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one

C13H16N2O2 — CID 2985079

IUPAC3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one
SMILESCC(C)C1C2=C(CCCC2=O)c2onc(N)c21
InChIInChI=1S/C13H16N2O2/c1-6(2)9-10-7(4-3-5-8(10)16)12-11(9)13(14)15-17-12/h6,9H,3-5H2,1-2H3,(H2,14,15)
InChIKeyGEIDOMMLGFWBDT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.52
Rot. Bonds1

About 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one

3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one (PubChem CID 2985079) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one.

Molecular Properties

Compound Name3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one
PubChem CID2985079
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one
SMILESCC(C)C1C2=C(CCCC2=O)c2onc(N)c21
InChIInChI=1S/C13H16N2O2/c1-6(2)9-10-7(4-3-5-8(10)16)12-11(9)13(14)15-17-12/h6,9H,3-5H2,1-2H3,(H2,14,15)
InChIKeyGEIDOMMLGFWBDT-UHFFFAOYSA-N
XLogP2.52
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
The IUPAC name of 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one (CID 2985079) is 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one.
What is the SMILES notation for 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
The canonical SMILES for 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one is CC(C)C1C2=C(CCCC2=O)c2onc(N)c21.
What is the InChIKey of 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
The InChIKey is GEIDOMMLGFWBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-6(2)9-10-7(4-3-5-8(10)16)12-11(9)13(14)15-17-12/h6,9H,3-5H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one?
3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one has a molecular weight of 232.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-propan-2-yl-4,6,7,8-tetrahydroindeno[2,1-d][1,2]oxazol-5-one is sourced from PubChem (CID 2985079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).