3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one

C12H8ClN3O2 — CID 104513870

IUPAC3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1ccc(Cl)nn1
InChIInChI=1S/C12H8ClN3O2/c13-11-6-5-8(14-15-11)7-16-9-3-1-2-4-10(9)18-12(16)17/h1-6H,7H2
InChIKeyHGYYPUFBXOUCQW-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.09
Rot. Bonds2

About 3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one

3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 104513870) has the molecular formula C12H8ClN3O2 and a molecular weight of 261.67 g/mol. Its IUPAC name is 3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID104513870
Molecular FormulaC12H8ClN3O2
Molecular Weight261.67 g/mol
Exact Mass261.03
IUPAC Name3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1ccc(Cl)nn1
InChIInChI=1S/C12H8ClN3O2/c13-11-6-5-8(14-15-11)7-16-9-3-1-2-4-10(9)18-12(16)17/h1-6H,7H2
InChIKeyHGYYPUFBXOUCQW-UHFFFAOYSA-N
XLogP2.09
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 80664476
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 17451250
3-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzoxazol-2-one
CID 18870532
3-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 50965892
3-[(2-chloro-3-pyridinyl)methyl]-1,3-benzoxazol-2-one
CID 62470052
3-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62188650
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one
CID 2744505
3-[(2-amino-4-chlorophenyl)methyl]-1,3-benzoxazol-2-one
CID 62100918
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one
CID 114218084
3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one
CID 46990315
3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one
CID 79231510
2,2-dimethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanethioamide
CID 65248701

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one (CID 104513870) is 3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1Cc1ccc(Cl)nn1.
What is the InChIKey of 3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is HGYYPUFBXOUCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2/c13-11-6-5-8(14-15-11)7-16-9-3-1-2-4-10(9)18-12(16)17/h1-6H,7H2.
What are the key properties of 3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one?
3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 261.67 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 104513870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).