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

C12H10ClN3O — CID 117372435

IUPAC3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
SMILESCc1cc2cc(Cl)c(-c3cc(N)on3)cc2[nH]1
InChIInChI=1S/C12H10ClN3O/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
InChIKeyJOTXYCMBKMTSLF-UHFFFAOYSA-N
MW247.69 g/mol
LogP3.37
Rot. Bonds1

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

3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine (PubChem CID 117372435) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
PubChem CID117372435
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
SMILESCc1cc2cc(Cl)c(-c3cc(N)on3)cc2[nH]1
InChIInChI=1S/C12H10ClN3O/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
InChIKeyJOTXYCMBKMTSLF-UHFFFAOYSA-N
XLogP3.37
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117333777
5-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazol-3-amine
CID 117369292
5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117443278
3-(5-chloro-2-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325886
3-(5-chloro-2-methyl-1H-indol-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117441323
3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117325884
3-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 117471047
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine
CID 136985599
3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117325883
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325881
3-(3-chloro-1H-indol-4-yl)-1,2-oxazol-5-amine
CID 117339578

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine (CID 117372435) is 3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine is Cc1cc2cc(Cl)c(-c3cc(N)on3)cc2[nH]1.
What is the InChIKey of 3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine?
The InChIKey is JOTXYCMBKMTSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/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-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine?
3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine has a molecular weight of 247.69 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117372435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).