3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine

C7H11BrN2O — CID 105473444

IUPAC3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine
SMILESCC(C)Cc1onc(Br)c1N
InChIInChI=1S/C7H11BrN2O/c1-4(2)3-5-6(9)7(8)10-11-5/h4H,3,9H2,1-2H3
InChIKeyOXHYAUXLVVYNAS-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.22
Rot. Bonds2

About 3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine

3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine (PubChem CID 105473444) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine
PubChem CID105473444
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine
SMILESCC(C)Cc1onc(Br)c1N
InChIInChI=1S/C7H11BrN2O/c1-4(2)3-5-6(9)7(8)10-11-5/h4H,3,9H2,1-2H3
InChIKeyOXHYAUXLVVYNAS-UHFFFAOYSA-N
XLogP2.22
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine
CID 105435952
3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 105473442
4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199671
4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine
CID 66199050
4-bromo-5-ethyl-1,2-oxazol-3-amine
CID 79555954
4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66198932
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819
5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523942
5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199654
3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
CID 83845862
1-[3-(2-methylpropyl)-2,1-benzoxazol-6-yl]ethanamine
CID 105472813
(3-bromo-4-methyl-1,2-oxazol-5-yl)methanol
CID 10899459

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine?
The IUPAC name of 3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine (CID 105473444) is 3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine.
What is the SMILES notation for 3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine?
The canonical SMILES for 3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine is CC(C)Cc1onc(Br)c1N.
What is the InChIKey of 3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine?
The InChIKey is OXHYAUXLVVYNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-4(2)3-5-6(9)7(8)10-11-5/h4H,3,9H2,1-2H3.
What are the key properties of 3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine?
3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine has a molecular weight of 219.08 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 105473444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).