5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine

C12H10BrN3O — CID 115109324

IUPAC5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine
SMILESCn1c(-c2oncc2N)cc2ccc(Br)cc21
InChIInChI=1S/C12H10BrN3O/c1-16-10-5-8(13)3-2-7(10)4-11(16)12-9(14)6-15-17-12/h2-6H,14H2,1H3
InChIKeyCCEKIVFCCXJHEP-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.18
Rot. Bonds1

About 5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine

5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine (PubChem CID 115109324) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine
PubChem CID115109324
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine
SMILESCn1c(-c2oncc2N)cc2ccc(Br)cc21
InChIInChI=1S/C12H10BrN3O/c1-16-10-5-8(13)3-2-7(10)4-11(16)12-9(14)6-15-17-12/h2-6H,14H2,1H3
InChIKeyCCEKIVFCCXJHEP-UHFFFAOYSA-N
XLogP3.18
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine
CID 82390701
5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109327
6-(5-bromo-1-methylindol-2-yl)pyridin-3-amine
CID 115110436
6-bromo-1-methylindazol-3-amine
CID 46835549
2-(4-amino-1,2-oxazol-5-yl)-1-benzofuran-6-ol
CID 136986506
2-(6-bromo-1-methylindol-2-yl)propanoic acid
CID 117122840
5-(1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115109269
1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine
CID 84640411
2-(6-bromo-1-methylindol-2-yl)ethynyl-tri(propan-2-yl)silane
CID 71545113
1-(6-bromo-1-methylindol-2-yl)propan-2-ol
CID 84712067
2,7-dibromo-9-methylcarbazole
CID 11851387
5-phenyl-1,2-oxazol-4-amine
CID 45117984

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine (CID 115109324) is 5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine is Cn1c(-c2oncc2N)cc2ccc(Br)cc21.
What is the InChIKey of 5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine?
The InChIKey is CCEKIVFCCXJHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-16-10-5-8(13)3-2-7(10)4-11(16)12-9(14)6-15-17-12/h2-6H,14H2,1H3.
What are the key properties of 5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine?
5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine has a molecular weight of 292.14 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 115109324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).