3-bromo-5-butyl-1,2-oxazole

C7H10BrNO — CID 11367702

IUPAC3-bromo-5-butyl-1,2-oxazole
SMILESCCCCc1cc(Br)no1
InChIInChI=1S/C7H10BrNO/c1-2-3-4-6-5-7(8)9-10-6/h5H,2-4H2,1H3
InChIKeyRXTJVTXZCYWODZ-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.78
Rot. Bonds3

About 3-bromo-5-butyl-1,2-oxazole

3-bromo-5-butyl-1,2-oxazole (PubChem CID 11367702) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 3-bromo-5-butyl-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-butyl-1,2-oxazole
PubChem CID11367702
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name3-bromo-5-butyl-1,2-oxazole
SMILESCCCCc1cc(Br)no1
InChIInChI=1S/C7H10BrNO/c1-2-3-4-6-5-7(8)9-10-6/h5H,2-4H2,1H3
InChIKeyRXTJVTXZCYWODZ-UHFFFAOYSA-N
XLogP2.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-butyl-1,2-oxazole?
The IUPAC name of 3-bromo-5-butyl-1,2-oxazole (CID 11367702) is 3-bromo-5-butyl-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-butyl-1,2-oxazole?
The canonical SMILES for 3-bromo-5-butyl-1,2-oxazole is CCCCc1cc(Br)no1.
What is the InChIKey of 3-bromo-5-butyl-1,2-oxazole?
The InChIKey is RXTJVTXZCYWODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-2-3-4-6-5-7(8)9-10-6/h5H,2-4H2,1H3.
What are the key properties of 3-bromo-5-butyl-1,2-oxazole?
3-bromo-5-butyl-1,2-oxazole has a molecular weight of 204.07 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-butyl-1,2-oxazole is sourced from PubChem (CID 11367702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).