4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine

C13H12FN3O — CID 117364560

IUPAC4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine
SMILESCc1[nH]c2c(F)cc(-c3cnoc3N)cc2c1C
InChIInChI=1S/C13H12FN3O/c1-6-7(2)17-12-9(6)3-8(4-11(12)14)10-5-16-18-13(10)15/h3-5,17H,15H2,1-2H3
InChIKeyIHONBYPJYUOMIU-UHFFFAOYSA-N
MW245.26 g/mol
LogP3.16
Rot. Bonds1

About 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine

4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine (PubChem CID 117364560) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine
PubChem CID117364560
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine
SMILESCc1[nH]c2c(F)cc(-c3cnoc3N)cc2c1C
InChIInChI=1S/C13H12FN3O/c1-6-7(2)17-12-9(6)3-8(4-11(12)14)10-5-16-18-13(10)15/h3-5,17H,15H2,1-2H3
InChIKeyIHONBYPJYUOMIU-UHFFFAOYSA-N
XLogP3.16
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-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 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine (CID 117364560) is 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine is Cc1[nH]c2c(F)cc(-c3cnoc3N)cc2c1C.
What is the InChIKey of 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine?
The InChIKey is IHONBYPJYUOMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-6-7(2)17-12-9(6)3-8(4-11(12)14)10-5-16-18-13(10)15/h3-5,17H,15H2,1-2H3.
What are the key properties of 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine?
4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine has a molecular weight of 245.26 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117364560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).