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

C15H9BrCl2N2O — CID 66198644

IUPAC4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(Cl)c2Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C15H9BrCl2N2O/c16-9-4-1-3-8(7-9)12-14(21-20-15(12)19)10-5-2-6-11(17)13(10)18/h1-7H,(H2,19,20)
InChIKeyPMJUGRMZPNYHEI-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.66
Rot. Bonds2

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

4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66198644) has the molecular formula C15H9BrCl2N2O and a molecular weight of 384.06 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID66198644
Molecular FormulaC15H9BrCl2N2O
Molecular Weight384.06 g/mol
Exact Mass381.93
IUPAC Name4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(Cl)c2Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C15H9BrCl2N2O/c16-9-4-1-3-8(7-9)12-14(21-20-15(12)19)10-5-2-6-11(17)13(10)18/h1-7H,(H2,19,20)
InChIKeyPMJUGRMZPNYHEI-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-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200527
4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
CID 66200850
5-(4-bromo-2-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199777
4-(3-bromophenyl)-5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 66198052
5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 107954780
4-(3-bromophenyl)-5-(5-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 114823944
4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine
CID 105064768
5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524140
5-(4-bromo-2-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198773
5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 106856445
5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198577
4-(3-bromophenyl)-5-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199849

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine (CID 66198644) is 4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cccc(Cl)c2Cl)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is PMJUGRMZPNYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2O/c16-9-4-1-3-8(7-9)12-14(21-20-15(12)19)10-5-2-6-11(17)13(10)18/h1-7H,(H2,19,20).
What are the key properties of 4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine?
4-(3-bromophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-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)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).