5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine

C11H8ClN3O — CID 136985780

IUPAC5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3cc(Cl)ccc3[nH]2)on1
InChIInChI=1S/C11H8ClN3O/c12-7-1-2-8-6(3-7)4-9(14-8)10-5-11(13)15-16-10/h1-5,14H,(H2,13,15)
InChIKeyOKJXZARTULABLC-UHFFFAOYSA-N
MW233.66 g/mol
LogP3.06
Rot. Bonds1

About 5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine

5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine (PubChem CID 136985780) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
PubChem CID136985780
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3cc(Cl)ccc3[nH]2)on1
InChIInChI=1S/C11H8ClN3O/c12-7-1-2-8-6(3-7)4-9(14-8)10-5-11(13)15-16-10/h1-5,14H,(H2,13,15)
InChIKeyOKJXZARTULABLC-UHFFFAOYSA-N
XLogP3.06
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine (CID 136985780) is 5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine is Nc1cc(-c2cc3cc(Cl)ccc3[nH]2)on1.
What is the InChIKey of 5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine?
The InChIKey is OKJXZARTULABLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-7-1-2-8-6(3-7)4-9(14-8)10-5-11(13)15-16-10/h1-5,14H,(H2,13,15).
What are the key properties of 5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine?
5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine has a molecular weight of 233.66 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1H-indol-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 136985780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).