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

C11H8FN3O — CID 136986148

IUPAC5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1c[nH]c2c(F)cccc12
InChIInChI=1S/C11H8FN3O/c12-8-3-1-2-6-7(4-14-10(6)8)11-9(13)5-15-16-11/h1-5,14H,13H2
InChIKeyFCINBPVHISJMHI-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.54
Rot. Bonds1

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

5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine (PubChem CID 136986148) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine
PubChem CID136986148
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1c[nH]c2c(F)cccc12
InChIInChI=1S/C11H8FN3O/c12-8-3-1-2-6-7(4-14-10(6)8)11-9(13)5-15-16-11/h1-5,14H,13H2
InChIKeyFCINBPVHISJMHI-UHFFFAOYSA-N
XLogP2.54
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine (CID 136986148) is 5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine is Nc1cnoc1-c1c[nH]c2c(F)cccc12.
What is the InChIKey of 5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine?
The InChIKey is FCINBPVHISJMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-8-3-1-2-6-7(4-14-10(6)8)11-9(13)5-15-16-11/h1-5,14H,13H2.
What are the key properties of 5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine?
5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine has a molecular weight of 217.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 136986148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).