3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole

C11H16BrNO2 — CID 130769836

IUPAC3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole
SMILESCC1CCCC(OCc2cc(Br)no2)C1
InChIInChI=1S/C11H16BrNO2/c1-8-3-2-4-9(5-8)14-7-10-6-11(12)13-15-10/h6,8-9H,2-5,7H2,1H3
InChIKeyIEVLHLVXRLOIKE-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.53
Rot. Bonds3

About 3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole

3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole (PubChem CID 130769836) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole
PubChem CID130769836
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole
SMILESCC1CCCC(OCc2cc(Br)no2)C1
InChIInChI=1S/C11H16BrNO2/c1-8-3-2-4-9(5-8)14-7-10-6-11(12)13-15-10/h6,8-9H,2-5,7H2,1H3
InChIKeyIEVLHLVXRLOIKE-UHFFFAOYSA-N
XLogP3.53
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole (CID 130769836) is 3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole is CC1CCCC(OCc2cc(Br)no2)C1.
What is the InChIKey of 3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole?
The InChIKey is IEVLHLVXRLOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-8-3-2-4-9(5-8)14-7-10-6-11(12)13-15-10/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole?
3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole has a molecular weight of 274.16 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 130769836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).