3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole

C15H12BrNO — CID 15121531

IUPAC3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESBrc1ccc(C2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C15H12BrNO/c16-13-8-6-11(7-9-13)14-10-15(18-17-14)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyMRXFCLUCXTXGEY-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.31
Rot. Bonds2

About 3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole

3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 15121531) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID15121531
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESBrc1ccc(C2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C15H12BrNO/c16-13-8-6-11(7-9-13)14-10-15(18-17-14)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyMRXFCLUCXTXGEY-UHFFFAOYSA-N
XLogP4.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole (CID 15121531) is 3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole is Brc1ccc(C2=NOC(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is MRXFCLUCXTXGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-13-8-6-11(7-9-13)14-10-15(18-17-14)12-4-2-1-3-5-12/h1-9,15H,10H2.
What are the key properties of 3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 302.17 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 15121531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).