3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine

C12H10BrN3O — CID 136986026

IUPAC3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine
SMILESCc1[nH]c2c(Br)cccc2c1-c1cc(N)on1
InChIInChI=1S/C12H10BrN3O/c1-6-11(9-5-10(14)17-16-9)7-3-2-4-8(13)12(7)15-6/h2-5,15H,14H2,1H3
InChIKeyLPMIWMQDDIPLDK-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.48
Rot. Bonds1

About 3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine

3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine (PubChem CID 136986026) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine
PubChem CID136986026
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine
SMILESCc1[nH]c2c(Br)cccc2c1-c1cc(N)on1
InChIInChI=1S/C12H10BrN3O/c1-6-11(9-5-10(14)17-16-9)7-3-2-4-8(13)12(7)15-6/h2-5,15H,14H2,1H3
InChIKeyLPMIWMQDDIPLDK-UHFFFAOYSA-N
XLogP3.48
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine
CID 136986044
2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
CID 136931070
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol
CID 115108539
3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117439369
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559
3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458753
N-[3-(5-amino-1,2-oxazol-3-yl)phenyl]-N-methylmethanesulfonamide
CID 117421417
8-bromo-2-methyl-1H-quinoline-4-thione
CID 43840357
8-bromo-2,3-dimethyl-1H-quinolin-4-one
CID 60995686
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
3-(5-amino-1,2-oxazol-3-yl)-1H-indol-7-ol
CID 136985951

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine (CID 136986026) is 3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine is Cc1[nH]c2c(Br)cccc2c1-c1cc(N)on1.
What is the InChIKey of 3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine?
The InChIKey is LPMIWMQDDIPLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-6-11(9-5-10(14)17-16-9)7-3-2-4-8(13)12(7)15-6/h2-5,15H,14H2,1H3.
What are the key properties of 3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine?
3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine has a molecular weight of 292.14 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 136986026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).