2-[2-(4-bromophenyl)ethyl]-1,3-oxazole

C11H10BrNO — CID 82481392

IUPAC2-[2-(4-bromophenyl)ethyl]-1,3-oxazole
SMILESBrc1ccc(CCc2ncco2)cc1
InChIInChI=1S/C11H10BrNO/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5,7-8H,3,6H2
InChIKeyRQDCIFQPZYIIFY-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.22
Rot. Bonds3

About 2-[2-(4-bromophenyl)ethyl]-1,3-oxazole

2-[2-(4-bromophenyl)ethyl]-1,3-oxazole (PubChem CID 82481392) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]-1,3-oxazole
PubChem CID82481392
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name2-[2-(4-bromophenyl)ethyl]-1,3-oxazole
SMILESBrc1ccc(CCc2ncco2)cc1
InChIInChI=1S/C11H10BrNO/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5,7-8H,3,6H2
InChIKeyRQDCIFQPZYIIFY-UHFFFAOYSA-N
XLogP3.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-(1,3-oxazol-2-ylmethyl)methanamine
CID 71742357
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole
CID 171846633
2-[2-(4-bromophenyl)ethyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 82490201
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
2-(4-bromophenyl)ethyl-fluoro-dimethylsilane
CID 23650279
3-(1-adamantyl)-5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazole
CID 155211958
4-[2-[ethyl(1,3-oxazol-2-ylmethyl)amino]ethyl]benzoic acid
CID 167283900
2-[2-(4-bromophenyl)ethyl]-1,3-dioxolane
CID 118022362
(4-bromophenyl)methyl-oxosulfanium
CID 158930689
2-(4-azidobutyl)-1,3-oxazole
CID 121437428
3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086975

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]-1,3-oxazole?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]-1,3-oxazole (CID 82481392) is 2-[2-(4-bromophenyl)ethyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]-1,3-oxazole is Brc1ccc(CCc2ncco2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]-1,3-oxazole?
The InChIKey is RQDCIFQPZYIIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5,7-8H,3,6H2.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]-1,3-oxazole?
2-[2-(4-bromophenyl)ethyl]-1,3-oxazole has a molecular weight of 252.11 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]-1,3-oxazole is sourced from PubChem (CID 82481392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).