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

C12H10FN3O — CID 115108043

IUPAC5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine
SMILESCn1c(-c2cc(N)no2)cc2cc(F)ccc21
InChIInChI=1S/C12H10FN3O/c1-16-9-3-2-8(13)4-7(9)5-10(16)11-6-12(14)15-17-11/h2-6H,1H3,(H2,14,15)
InChIKeyBEUULRFVKNGHAF-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.55
Rot. Bonds1

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

5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine (PubChem CID 115108043) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine
PubChem CID115108043
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine
SMILESCn1c(-c2cc(N)no2)cc2cc(F)ccc21
InChIInChI=1S/C12H10FN3O/c1-16-9-3-2-8(13)4-7(9)5-10(16)11-6-12(14)15-17-11/h2-6H,1H3,(H2,14,15)
InChIKeyBEUULRFVKNGHAF-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

Analyze 5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole
CID 131874849
(5-fluoro-1-methylindol-2-yl)-trimethylsilane
CID 177390478
5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine
CID 115107942
2-(3-amino-1,2-oxazol-5-yl)-4-fluorophenol
CID 137015317
5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72902714
2-ethenyl-5-fluoro-1-methylindole
CID 56833976
3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 115107817
5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine
CID 115107730
5-fluoro-2-(5-fluoro-1-pyrimidin-2-ylindol-2-yl)-1-pyrimidin-2-ylindole
CID 132528928
2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436
O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230
5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine
CID 117407236

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine (CID 115108043) is 5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine is Cn1c(-c2cc(N)no2)cc2cc(F)ccc21.
What is the InChIKey of 5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine?
The InChIKey is BEUULRFVKNGHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-16-9-3-2-8(13)4-7(9)5-10(16)11-6-12(14)15-17-11/h2-6H,1H3,(H2,14,15).
What are the key properties of 5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine?
5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-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 5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 115108043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).