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

C15H9Br2ClN2O — CID 107954796

IUPAC5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)cc(Br)c2)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H9Br2ClN2O/c16-10-3-1-8(2-4-10)13-14(21-20-15(13)19)9-5-11(17)7-12(18)6-9/h1-7H,(H2,19,20)
InChIKeyWLVUVLKWSMFBSC-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.77
Rot. Bonds2

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

5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine (PubChem CID 107954796) has the molecular formula C15H9Br2ClN2O and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
PubChem CID107954796
Molecular FormulaC15H9Br2ClN2O
Molecular Weight428.51 g/mol
Exact Mass425.88
IUPAC Name5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(Cl)cc(Br)c2)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H9Br2ClN2O/c16-10-3-1-8(2-4-10)13-14(21-20-15(13)19)9-5-11(17)7-12(18)6-9/h1-7H,(H2,19,20)
InChIKeyWLVUVLKWSMFBSC-UHFFFAOYSA-N
XLogP5.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954872
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 107954780
4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66199515
5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199070
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
CID 82879782
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1,2-oxazol-3-amine
CID 106690627
4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 66200724
5-(3-bromo-5-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80524785
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine (CID 107954796) is 5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(Cl)cc(Br)c2)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine?
The InChIKey is WLVUVLKWSMFBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClN2O/c16-10-3-1-8(2-4-10)13-14(21-20-15(13)19)9-5-11(17)7-12(18)6-9/h1-7H,(H2,19,20).
What are the key properties of 5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine?
5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine has a molecular weight of 428.51 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 107954796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).