1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine

C13H12FN3O — CID 82385244

IUPAC1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCC(N)c1cnc(-c2cc3cc(F)ccc3[nH]2)o1
InChIInChI=1S/C13H12FN3O/c1-7(15)12-6-16-13(18-12)11-5-8-4-9(14)2-3-10(8)17-11/h2-7,17H,15H2,1H3
InChIKeyNUGJHHZJCAFMAC-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.98
Rot. Bonds2

About 1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine

1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 82385244) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine
PubChem CID82385244
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCC(N)c1cnc(-c2cc3cc(F)ccc3[nH]2)o1
InChIInChI=1S/C13H12FN3O/c1-7(15)12-6-16-13(18-12)11-5-8-4-9(14)2-3-10(8)17-11/h2-7,17H,15H2,1H3
InChIKeyNUGJHHZJCAFMAC-UHFFFAOYSA-N
XLogP2.98
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine (CID 82385244) is 1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine is CC(N)c1cnc(-c2cc3cc(F)ccc3[nH]2)o1.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is NUGJHHZJCAFMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-7(15)12-6-16-13(18-12)11-5-8-4-9(14)2-3-10(8)17-11/h2-7,17H,15H2,1H3.
What are the key properties of 1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine?
1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 245.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 82385244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).