6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

C17H10ClN3O2 — CID 690939

IUPAC6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2Cl)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10ClN3O2/c18-14-9-5-4-8-12(14)16-20-15-13(17(22)23-16)10-19-21(15)11-6-2-1-3-7-11/h1-10H
InChIKeyVVPBFKKLJUKGSU-UHFFFAOYSA-N
MW323.74 g/mol
LogP3.69
Rot. Bonds2

About 6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 690939) has the molecular formula C17H10ClN3O2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID690939
Molecular FormulaC17H10ClN3O2
Molecular Weight323.74 g/mol
Exact Mass323.05
IUPAC Name6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2Cl)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10ClN3O2/c18-14-9-5-4-8-12(14)16-20-15-13(17(22)23-16)10-19-21(15)11-6-2-1-3-7-11/h1-10H
InChIKeyVVPBFKKLJUKGSU-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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Related Compounds

Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1,6-diphenyl-
CID 692942
6-(4-Methylphenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-one
CID 722801
6-(2-fluorophenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
CID 692962
3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 1214727
6-(3-chlorophenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
CID 690934
6-(3-Fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
CID 3266465
1-[5-[(2-Chlorophenyl)methoxymethyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 44419320
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(nitrophenyl)-1-phenyl-
CID 3071660
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl-
CID 3071661
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-phenyl-
CID 3087662
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl-
CID 3087663
Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate
CID 7243749

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 690939) is 6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is O=c1oc(-c2ccccc2Cl)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is VVPBFKKLJUKGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2/c18-14-9-5-4-8-12(14)16-20-15-13(17(22)23-16)10-19-21(15)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(2-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-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 690939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).