2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole

C12H8BrF2NO — CID 57027441

IUPAC2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole
SMILESFC1(F)CC1c1cnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C12H8BrF2NO/c13-8-3-1-7(2-4-8)11-16-6-10(17-11)9-5-12(9,14)15/h1-4,6,9H,5H2
InChIKeyNQAADIDJKWICAI-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.23
Rot. Bonds2

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

2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole (PubChem CID 57027441) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole
PubChem CID57027441
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole
SMILESFC1(F)CC1c1cnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C12H8BrF2NO/c13-8-3-1-7(2-4-8)11-16-6-10(17-11)9-5-12(9,14)15/h1-4,6,9H,5H2
InChIKeyNQAADIDJKWICAI-UHFFFAOYSA-N
XLogP4.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole?
The IUPAC name of 2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole (CID 57027441) is 2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole is FC1(F)CC1c1cnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole?
The InChIKey is NQAADIDJKWICAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-8-3-1-7(2-4-8)11-16-6-10(17-11)9-5-12(9,14)15/h1-4,6,9H,5H2.
What are the key properties of 2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole?
2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole has a molecular weight of 300.10 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(2,2-difluorocyclopropyl)-1,3-oxazole is sourced from PubChem (CID 57027441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).