3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one

C15H10ClN3O2 — CID 17451250

IUPAC3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C15H10ClN3O2/c16-10-5-6-14-17-11(8-18(14)7-10)9-19-12-3-1-2-4-13(12)21-15(19)20/h1-8H,9H2
InChIKeyBMUWBPUDDVJXHP-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.94
Rot. Bonds2

About 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 17451250) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID17451250
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C15H10ClN3O2/c16-10-5-6-14-17-11(8-18(14)7-10)9-19-12-3-1-2-4-13(12)21-15(19)20/h1-8H,9H2
InChIKeyBMUWBPUDDVJXHP-UHFFFAOYSA-N
XLogP2.94
TPSA52.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one (CID 17451250) is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1Cc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is BMUWBPUDDVJXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-10-5-6-14-17-11(8-18(14)7-10)9-19-12-3-1-2-4-13(12)21-15(19)20/h1-8H,9H2.
What are the key properties of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one?
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 299.72 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 17451250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).