3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole

C12H9ClN2O — CID 139234461

IUPAC3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole
SMILESCc1cc2ncc(-c3ccc(Cl)cc3)n2o1
InChIInChI=1S/C12H9ClN2O/c1-8-6-12-14-7-11(15(12)16-8)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyMLLWALRDPSWZIN-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.56
Rot. Bonds1

About 3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole

3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole (PubChem CID 139234461) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole
PubChem CID139234461
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole
SMILESCc1cc2ncc(-c3ccc(Cl)cc3)n2o1
InChIInChI=1S/C12H9ClN2O/c1-8-6-12-14-7-11(15(12)16-8)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyMLLWALRDPSWZIN-UHFFFAOYSA-N
XLogP3.56
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole?
The IUPAC name of 3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole (CID 139234461) is 3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole is Cc1cc2ncc(-c3ccc(Cl)cc3)n2o1.
What is the InChIKey of 3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole?
The InChIKey is MLLWALRDPSWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c1-8-6-12-14-7-11(15(12)16-8)9-2-4-10(13)5-3-9/h2-7H,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole?
3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole has a molecular weight of 232.67 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methylimidazo[1,2-b][1,2]oxazole is sourced from PubChem (CID 139234461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).