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

C11H8BrN3O — CID 117445500

IUPAC4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cccc2[nH]cc(Br)c12
InChIInChI=1S/C11H8BrN3O/c12-8-5-14-9-3-1-2-6(10(8)9)7-4-15-16-11(7)13/h1-5,14H,13H2
InChIKeySBQYMBCGGBNHCX-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.17
Rot. Bonds1

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

4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine (PubChem CID 117445500) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine
PubChem CID117445500
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cccc2[nH]cc(Br)c12
InChIInChI=1S/C11H8BrN3O/c12-8-5-14-9-3-1-2-6(10(8)9)7-4-15-16-11(7)13/h1-5,14H,13H2
InChIKeySBQYMBCGGBNHCX-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

4-(1,3-benzoxazol-4-yl)-1,2-oxazol-5-amine
CID 117289789
4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117395502
4-(3-chloro-1H-indol-4-yl)-1H-pyrazol-5-amine
CID 117337235
4-(5-chloro-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117339591
4-[2-bromo-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117491987
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117325152
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol
CID 117318069
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117310663
2-(3-bromo-1H-indol-4-yl)propan-2-amine
CID 117385066
2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
CID 117390307

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine (CID 117445500) is 4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1cccc2[nH]cc(Br)c12.
What is the InChIKey of 4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is SBQYMBCGGBNHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-8-5-14-9-3-1-2-6(10(8)9)7-4-15-16-11(7)13/h1-5,14H,13H2.
What are the key properties of 4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine?
4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-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 4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117445500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).