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

C17H15BrN2O — CID 66199515

IUPAC4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(C)cc(-c2onc(N)c2-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H15BrN2O/c1-10-7-11(2)9-13(8-10)16-15(17(19)20-21-16)12-3-5-14(18)6-4-12/h3-9H,1-2H3,(H2,19,20)
InChIKeyGCJKTBSUPTXEMF-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.97
Rot. Bonds2

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

4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine (PubChem CID 66199515) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
PubChem CID66199515
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(C)cc(-c2onc(N)c2-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H15BrN2O/c1-10-7-11(2)9-13(8-10)16-15(17(19)20-21-16)12-3-5-14(18)6-4-12/h3-9H,1-2H3,(H2,19,20)
InChIKeyGCJKTBSUPTXEMF-UHFFFAOYSA-N
XLogP4.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199070
5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
CID 107954796
5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198077
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 79555953
5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 81324835
5-(5-bromo-2-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66198471
4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 66200724
4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
CID 82879782
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
4-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66197888

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine (CID 66199515) is 4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine is Cc1cc(C)cc(-c2onc(N)c2-c2ccc(Br)cc2)c1.
What is the InChIKey of 4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
The InChIKey is GCJKTBSUPTXEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-10-7-11(2)9-13(8-10)16-15(17(19)20-21-16)12-3-5-14(18)6-4-12/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine has a molecular weight of 343.22 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).