2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole

C8H12BrNO — CID 105471905

IUPAC2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole
SMILESCCc1nc(Br)oc1C(C)C
InChIInChI=1S/C8H12BrNO/c1-4-6-7(5(2)3)11-8(9)10-6/h5H,4H2,1-3H3
InChIKeyPLQMTMCNTJURHM-UHFFFAOYSA-N
MW218.09 g/mol
LogP3.12
Rot. Bonds2

About 2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole

2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole (PubChem CID 105471905) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole
PubChem CID105471905
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole
SMILESCCc1nc(Br)oc1C(C)C
InChIInChI=1S/C8H12BrNO/c1-4-6-7(5(2)3)11-8(9)10-6/h5H,4H2,1-3H3
InChIKeyPLQMTMCNTJURHM-UHFFFAOYSA-N
XLogP3.12
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole (CID 105471905) is 2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole is CCc1nc(Br)oc1C(C)C.
What is the InChIKey of 2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole?
The InChIKey is PLQMTMCNTJURHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-4-6-7(5(2)3)11-8(9)10-6/h5H,4H2,1-3H3.
What are the key properties of 2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole?
2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole has a molecular weight of 218.09 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 105471905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).