3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine

C12H10FN3O — CID 117333777

IUPAC3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
SMILESCc1cc2cc(F)c(-c3cc(N)on3)cc2[nH]1
InChIInChI=1S/C12H10FN3O/c1-6-2-7-3-9(13)8(4-10(7)15-6)11-5-12(14)17-16-11/h2-5,15H,14H2,1H3
InChIKeyAJXQGKRIBJGHDZ-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.85
Rot. Bonds1

About 3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine

3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine (PubChem CID 117333777) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
PubChem CID117333777
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
SMILESCc1cc2cc(F)c(-c3cc(N)on3)cc2[nH]1
InChIInChI=1S/C12H10FN3O/c1-6-2-7-3-9(13)8(4-10(7)15-6)11-5-12(14)17-16-11/h2-5,15H,14H2,1H3
InChIKeyAJXQGKRIBJGHDZ-UHFFFAOYSA-N
XLogP2.85
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117372435
3-(5-chloro-2-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325886
3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117348551
5-fluoro-2,6-dimethyl-1H-indole
CID 130063636
3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine
CID 117310740
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
2-(5-amino-1,2-oxazol-3-yl)-6-fluoro-4-methylphenol
CID 136998714
5-(5-amino-1,2-oxazol-3-yl)-2,4-difluorobenzonitrile
CID 117315098
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
3-(2-fluoro-3,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 117294555
3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378355

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine (CID 117333777) is 3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine is Cc1cc2cc(F)c(-c3cc(N)on3)cc2[nH]1.
What is the InChIKey of 3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine?
The InChIKey is AJXQGKRIBJGHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-6-2-7-3-9(13)8(4-10(7)15-6)11-5-12(14)17-16-11/h2-5,15H,14H2,1H3.
What are the key properties of 3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine?
3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine has a molecular weight of 231.23 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117333777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).