3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole

C9H12BrNO2 — CID 131076768

IUPAC3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole
SMILESBrc1cc(COC2CCCC2)on1
InChIInChI=1S/C9H12BrNO2/c10-9-5-8(13-11-9)6-12-7-3-1-2-4-7/h5,7H,1-4,6H2
InChIKeySADVJPRDXRLVGL-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.90
Rot. Bonds3

About 3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole

3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole (PubChem CID 131076768) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole
PubChem CID131076768
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole
SMILESBrc1cc(COC2CCCC2)on1
InChIInChI=1S/C9H12BrNO2/c10-9-5-8(13-11-9)6-12-7-3-1-2-4-7/h5,7H,1-4,6H2
InChIKeySADVJPRDXRLVGL-UHFFFAOYSA-N
XLogP2.90
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole?
The IUPAC name of 3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole (CID 131076768) is 3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole?
The canonical SMILES for 3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole is Brc1cc(COC2CCCC2)on1.
What is the InChIKey of 3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole?
The InChIKey is SADVJPRDXRLVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c10-9-5-8(13-11-9)6-12-7-3-1-2-4-7/h5,7H,1-4,6H2.
What are the key properties of 3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole?
3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole has a molecular weight of 246.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(cyclopentyloxymethyl)-1,2-oxazole is sourced from PubChem (CID 131076768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).