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

C13H14BrClN2O — CID 66200466

IUPAC5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1c(N)noc1-c1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClN2O/c1-7(2)5-10-12(18-17-13(10)16)9-4-3-8(14)6-11(9)15/h3-4,6-7H,5H2,1-2H3,(H2,16,17)
InChIKeyYCFYDDDOICYCJW-UHFFFAOYSA-N
MW329.63 g/mol
LogP4.54
Rot. Bonds3

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

5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66200466) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66200466
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC Name5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1c(N)noc1-c1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClN2O/c1-7(2)5-10-12(18-17-13(10)16)9-4-3-8(14)6-11(9)15/h3-4,6-7H,5H2,1-2H3,(H2,16,17)
InChIKeyYCFYDDDOICYCJW-UHFFFAOYSA-N
XLogP4.54
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66198057
5-(4-bromo-2-methylphenyl)-4-chloro-1,2-oxazol-3-amine
CID 79557098
5-(4-bromo-2-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199777
5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 113296257
5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 103407009
5-(4-bromo-2-chlorophenyl)-3-(chloromethyl)-1,2-oxazole
CID 79017527
5-(4-chloro-2-fluorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66200636
5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199654
1-[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634789
3-(6-bromonaphthalen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 115354111
4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198644
5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555967

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66200466) is 5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine is CC(C)Cc1c(N)noc1-c1ccc(Br)cc1Cl.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is YCFYDDDOICYCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-7(2)5-10-12(18-17-13(10)16)9-4-3-8(14)6-11(9)15/h3-4,6-7H,5H2,1-2H3,(H2,16,17).
What are the key properties of 5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 329.63 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).