5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine

C11H8BrN3O — CID 150300739

IUPAC5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine
SMILESNc1nc(-c2cc3ccccc3[nH]2)c(Br)o1
InChIInChI=1S/C11H8BrN3O/c12-10-9(15-11(13)16-10)8-5-6-3-1-2-4-7(6)14-8/h1-5,14H,(H2,13,15)
InChIKeyGJOAVPFDDZCYJV-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.17
Rot. Bonds1

About 5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine

5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine (PubChem CID 150300739) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine
PubChem CID150300739
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine
SMILESNc1nc(-c2cc3ccccc3[nH]2)c(Br)o1
InChIInChI=1S/C11H8BrN3O/c12-10-9(15-11(13)16-10)8-5-6-3-1-2-4-7(6)14-8/h1-5,14H,(H2,13,15)
InChIKeyGJOAVPFDDZCYJV-UHFFFAOYSA-N
XLogP3.17
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
2-(4-bromo-2-pyridinyl)-1H-indole
CID 152567330
7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 170985982
2-bromo-1H-indole
CID 11805631
2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
CID 141030381
2-(1H-indol-2-yl)-1,3-oxazole
CID 67340234
2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol
CID 170993085
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
CID 137153670
2-chloro-4-(1H-indol-2-yl)aniline
CID 150315319
4-(1H-indol-2-yl)-3-methylaniline
CID 141440028
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine (CID 150300739) is 5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine is Nc1nc(-c2cc3ccccc3[nH]2)c(Br)o1.
What is the InChIKey of 5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine?
The InChIKey is GJOAVPFDDZCYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-10-9(15-11(13)16-10)8-5-6-3-1-2-4-7(6)14-8/h1-5,14H,(H2,13,15).
What are the key properties of 5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine?
5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine has a molecular weight of 278.11 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 150300739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).