5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine

C13H13ClN2O — CID 81343933

IUPAC5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCc1ccon1)C2
InChIInChI=1S/C13H13ClN2O/c14-11-2-1-9-6-13(7-10(9)5-11)15-8-12-3-4-17-16-12/h1-5,13,15H,6-8H2
InChIKeyAOFPXYHSZHUEPB-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.59
Rot. Bonds3

About 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 81343933) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID81343933
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCc1ccon1)C2
InChIInChI=1S/C13H13ClN2O/c14-11-2-1-9-6-13(7-10(9)5-11)15-8-12-3-4-17-16-12/h1-5,13,15H,6-8H2
InChIKeyAOFPXYHSZHUEPB-UHFFFAOYSA-N
XLogP2.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine 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 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 81343933) is 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine is Clc1ccc2c(c1)CC(NCc1ccon1)C2.
What is the InChIKey of 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is AOFPXYHSZHUEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-11-2-1-9-6-13(7-10(9)5-11)15-8-12-3-4-17-16-12/h1-5,13,15H,6-8H2.
What are the key properties of 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 248.71 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81343933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).