6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

C17H10ClN3O2 — CID 690934

IUPAC6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2cccc(Cl)c2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10ClN3O2/c18-12-6-4-5-11(9-12)16-20-15-14(17(22)23-16)10-19-21(15)13-7-2-1-3-8-13/h1-10H
InChIKeyDTDWLTNEDOUJLD-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.69
Rot. Bonds2

About 6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 690934) has the molecular formula C17H10ClN3O2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID690934
Molecular FormulaC17H10ClN3O2
Molecular Weight323.74 g/mol
Exact Mass323.05
IUPAC Name6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2cccc(Cl)c2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10ClN3O2/c18-12-6-4-5-11(9-12)16-20-15-14(17(22)23-16)10-19-21(15)13-7-2-1-3-8-13/h1-10H
InChIKeyDTDWLTNEDOUJLD-UHFFFAOYSA-N
XLogP3.69
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 690934) is 6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is O=c1oc(-c2cccc(Cl)c2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is DTDWLTNEDOUJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2/c18-12-6-4-5-11(9-12)16-20-15-14(17(22)23-16)10-19-21(15)13-7-2-1-3-8-13/h1-10H.
What are the key properties of 6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 323.74 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 690934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).