4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine

C15H9BrCl2N2O — CID 43560931

IUPAC4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Cl)ccc2Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C15H9BrCl2N2O/c16-9-3-1-2-8(6-9)13-14(20-21-15(13)19)11-7-10(17)4-5-12(11)18/h1-7H,19H2
InChIKeyKGYYILQHFLNAPD-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.66
Rot. Bonds2

About 4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine

4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine (PubChem CID 43560931) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
PubChem CID43560931
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC Name4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cc(Cl)ccc2Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C15H9BrCl2N2O/c16-9-3-1-2-8(6-9)13-14(20-21-15(13)19)11-7-10(17)4-5-12(11)18/h1-7H,19H2
InChIKeyKGYYILQHFLNAPD-UHFFFAOYSA-N
XLogP5.66
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.06
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523152
4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
CID 106687975
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521611
4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 102801823
3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 107988958
4-(3-bromophenyl)-3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 43560893
3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55078987

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine (CID 43560931) is 4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2cc(Cl)ccc2Cl)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is KGYYILQHFLNAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c16-9-3-1-2-8(6-9)13-14(20-21-15(13)19)11-7-10(17)4-5-12(11)18/h1-7H,19H2.
What are the key properties of 4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine?
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine has a molecular weight of 384.06 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43560931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).