[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol

C20H15N5O2 — CID 70098851

IUPAC[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol
SMILESCc1onc(-c2ccccc2)c1-c1nnc2c3ccccc3c(CO)nn12
InChIInChI=1S/C20H15N5O2/c1-12-17(18(24-27-12)13-7-3-2-4-8-13)20-22-21-19-15-10-6-5-9-14(15)16(11-26)23-25(19)20/h2-10,26H,11H2,1H3
InChIKeyQHDKSWPGEYNQJI-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.40
Rot. Bonds3

About [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol

[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol (PubChem CID 70098851) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol.

Molecular Properties

Compound Name[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol
PubChem CID70098851
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol
SMILESCc1onc(-c2ccccc2)c1-c1nnc2c3ccccc3c(CO)nn12
InChIInChI=1S/C20H15N5O2/c1-12-17(18(24-27-12)13-7-3-2-4-8-13)20-22-21-19-15-10-6-5-9-14(15)16(11-26)23-25(19)20/h2-10,26H,11H2,1H3
InChIKeyQHDKSWPGEYNQJI-UHFFFAOYSA-N
XLogP3.40
TPSA89.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol?
The IUPAC name of [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol (CID 70098851) is [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol.
What is the SMILES notation for [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol?
The canonical SMILES for [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol is Cc1onc(-c2ccccc2)c1-c1nnc2c3ccccc3c(CO)nn12.
What is the InChIKey of [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol?
The InChIKey is QHDKSWPGEYNQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-12-17(18(24-27-12)13-7-3-2-4-8-13)20-22-21-19-15-10-6-5-9-14(15)16(11-26)23-25(19)20/h2-10,26H,11H2,1H3.
What are the key properties of [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol?
[3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol has a molecular weight of 357.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]methanol is sourced from PubChem (CID 70098851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).