6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one

C19H15ClN2O3 — CID 24767419

IUPAC6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
SMILESO=C1OC(COc2ccc(Cl)cc2)Cn2nc(-c3ccccc3)cc21
InChIInChI=1S/C19H15ClN2O3/c20-14-6-8-15(9-7-14)24-12-16-11-22-18(19(23)25-16)10-17(21-22)13-4-2-1-3-5-13/h1-10,16H,11-12H2
InChIKeyYYDBTBWTAZCNFG-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.82
Rot. Bonds4

About 6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one

6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one (PubChem CID 24767419) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
PubChem CID24767419
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
SMILESO=C1OC(COc2ccc(Cl)cc2)Cn2nc(-c3ccccc3)cc21
InChIInChI=1S/C19H15ClN2O3/c20-14-6-8-15(9-7-14)24-12-16-11-22-18(19(23)25-16)10-17(21-22)13-4-2-1-3-5-13/h1-10,16H,11-12H2
InChIKeyYYDBTBWTAZCNFG-UHFFFAOYSA-N
XLogP3.82
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The IUPAC name of 6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one (CID 24767419) is 6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The canonical SMILES for 6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one is O=C1OC(COc2ccc(Cl)cc2)Cn2nc(-c3ccccc3)cc21.
What is the InChIKey of 6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The InChIKey is YYDBTBWTAZCNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-14-6-8-15(9-7-14)24-12-16-11-22-18(19(23)25-16)10-17(21-22)13-4-2-1-3-5-13/h1-10,16H,11-12H2.
What are the key properties of 6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one has a molecular weight of 354.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenoxy)methyl]-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 24767419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).