2-phthalazin-1-yl-1,3-oxazole

C11H7N3O — CID 174616305

IUPAC2-phthalazin-1-yl-1,3-oxazole
SMILESc1ccc2c(-c3ncco3)nncc2c1
InChIInChI=1S/C11H7N3O/c1-2-4-9-8(3-1)7-13-14-10(9)11-12-5-6-15-11/h1-7H
InChIKeyVYXNPEGPEZRVGB-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.28
Rot. Bonds1

About 2-phthalazin-1-yl-1,3-oxazole

2-phthalazin-1-yl-1,3-oxazole (PubChem CID 174616305) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-phthalazin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name2-phthalazin-1-yl-1,3-oxazole
PubChem CID174616305
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name2-phthalazin-1-yl-1,3-oxazole
SMILESc1ccc2c(-c3ncco3)nncc2c1
InChIInChI=1S/C11H7N3O/c1-2-4-9-8(3-1)7-13-14-10(9)11-12-5-6-15-11/h1-7H
InChIKeyVYXNPEGPEZRVGB-UHFFFAOYSA-N
XLogP2.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-1-yl-1,3-oxazole?
The IUPAC name of 2-phthalazin-1-yl-1,3-oxazole (CID 174616305) is 2-phthalazin-1-yl-1,3-oxazole.
What is the SMILES notation for 2-phthalazin-1-yl-1,3-oxazole?
The canonical SMILES for 2-phthalazin-1-yl-1,3-oxazole is c1ccc2c(-c3ncco3)nncc2c1.
What is the InChIKey of 2-phthalazin-1-yl-1,3-oxazole?
The InChIKey is VYXNPEGPEZRVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c1-2-4-9-8(3-1)7-13-14-10(9)11-12-5-6-15-11/h1-7H.
What are the key properties of 2-phthalazin-1-yl-1,3-oxazole?
2-phthalazin-1-yl-1,3-oxazole has a molecular weight of 197.20 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-1-yl-1,3-oxazole is sourced from PubChem (CID 174616305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).