3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine

C12H12BrFN2O — CID 113490737

IUPAC3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine
SMILESCC(C)c1c(-c2cc(F)ccc2Br)noc1N
InChIInChI=1S/C12H12BrFN2O/c1-6(2)10-11(16-17-12(10)15)8-5-7(14)3-4-9(8)13/h3-6H,15H2,1-2H3
InChIKeyMJGHBPPDDQWDBO-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.95
Rot. Bonds2

About 3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine

3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine (PubChem CID 113490737) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine
PubChem CID113490737
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine
SMILESCC(C)c1c(-c2cc(F)ccc2Br)noc1N
InChIInChI=1S/C12H12BrFN2O/c1-6(2)10-11(16-17-12(10)15)8-5-7(14)3-4-9(8)13/h3-6H,15H2,1-2H3
InChIKeyMJGHBPPDDQWDBO-UHFFFAOYSA-N
XLogP3.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine
CID 113490775
3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 107923669
4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117395502
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107923527
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107923470
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 107923647
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 107924502
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 107923424
5-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107923480
5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
CID 112571851
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 107924519
4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 62830346

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine (CID 113490737) is 3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine is CC(C)c1c(-c2cc(F)ccc2Br)noc1N.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine?
The InChIKey is MJGHBPPDDQWDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-6(2)10-11(16-17-12(10)15)8-5-7(14)3-4-9(8)13/h3-6H,15H2,1-2H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine?
3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine has a molecular weight of 299.14 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 113490737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).