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

C16H12BrClN2O — CID 81317351

IUPAC4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Cl)cc(-c2noc(N)c2-c2ccccc2Br)c1
InChIInChI=1S/C16H12BrClN2O/c1-9-6-10(8-11(18)7-9)15-14(16(19)21-20-15)12-4-2-3-5-13(12)17/h2-8H,19H2,1H3
InChIKeyVMLFXIMPIDFDNM-UHFFFAOYSA-N
MW363.64 g/mol
LogP5.32
Rot. Bonds2

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

4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 81317351) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID81317351
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Cl)cc(-c2noc(N)c2-c2ccccc2Br)c1
InChIInChI=1S/C16H12BrClN2O/c1-9-6-10(8-11(18)7-9)15-14(16(19)21-20-15)12-4-2-3-5-13(12)17/h2-8H,19H2,1H3
InChIKeyVMLFXIMPIDFDNM-UHFFFAOYSA-N
XLogP5.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.64
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine (CID 81317351) is 4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine is Cc1cc(Cl)cc(-c2noc(N)c2-c2ccccc2Br)c1.
What is the InChIKey of 4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is VMLFXIMPIDFDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c1-9-6-10(8-11(18)7-9)15-14(16(19)21-20-15)12-4-2-3-5-13(12)17/h2-8H,19H2,1H3.
What are the key properties of 4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine?
4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 363.64 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 81317351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).