3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine

C12H10FN3O — CID 115107869

IUPAC3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine
SMILESCn1c(-c2cc(N)on2)cc2c(F)cccc21
InChIInChI=1S/C12H10FN3O/c1-16-10-4-2-3-8(13)7(10)5-11(16)9-6-12(14)17-15-9/h2-6H,14H2,1H3
InChIKeyXBMPKGJOZPUKAT-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.55
Rot. Bonds1

About 3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine

3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine (PubChem CID 115107869) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine
PubChem CID115107869
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine
SMILESCn1c(-c2cc(N)on2)cc2c(F)cccc21
InChIInChI=1S/C12H10FN3O/c1-16-10-4-2-3-8(13)7(10)5-11(16)9-6-12(14)17-15-9/h2-6H,14H2,1H3
InChIKeyXBMPKGJOZPUKAT-UHFFFAOYSA-N
XLogP2.55
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine (CID 115107869) is 3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine is Cn1c(-c2cc(N)on2)cc2c(F)cccc21.
What is the InChIKey of 3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine?
The InChIKey is XBMPKGJOZPUKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-16-10-4-2-3-8(13)7(10)5-11(16)9-6-12(14)17-15-9/h2-6H,14H2,1H3.
What are the key properties of 3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine?
3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine has a molecular weight of 231.23 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 115107869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).