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

C15H11Br2NO — CID 42962319

IUPAC3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole
SMILESBrc1ccc(C2=NOC(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C15H11Br2NO/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,15H,9H2
InChIKeyFLSWKTAOPORDIG-UHFFFAOYSA-N
MW381.07 g/mol
LogP5.08
Rot. Bonds2

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

3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 42962319) has the molecular formula C15H11Br2NO and a molecular weight of 381.07 g/mol. Its IUPAC name is 3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID42962319
Molecular FormulaC15H11Br2NO
Molecular Weight381.07 g/mol
Exact Mass378.92
IUPAC Name3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole
SMILESBrc1ccc(C2=NOC(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C15H11Br2NO/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,15H,9H2
InChIKeyFLSWKTAOPORDIG-UHFFFAOYSA-N
XLogP5.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.07
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole (CID 42962319) is 3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole is Brc1ccc(C2=NOC(c3ccc(Br)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is FLSWKTAOPORDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,15H,9H2.
What are the key properties of 3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole?
3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 381.07 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-bromophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 42962319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).