4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide

C23H19F3N4O3 — CID 24855644

IUPAC4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide
SMILESCc1coc(NC(=O)c2ccc(C)c(-c3ccc4c(OC(C)C(F)(F)F)nncc4c3)c2)n1
InChIInChI=1S/C23H19F3N4O3/c1-12-4-5-16(20(31)29-22-28-13(2)11-32-22)9-19(12)15-6-7-18-17(8-15)10-27-30-21(18)33-14(3)23(24,25)26/h4-11,14H,1-3H3,(H,28,29,31)
InChIKeyGZPAPEZCDIBACU-UHFFFAOYSA-N
MW456.42 g/mol
LogP5.48
Rot. Bonds5

About 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide

4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide (PubChem CID 24855644) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide
PubChem CID24855644
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC Name4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide
SMILESCc1coc(NC(=O)c2ccc(C)c(-c3ccc4c(OC(C)C(F)(F)F)nncc4c3)c2)n1
InChIInChI=1S/C23H19F3N4O3/c1-12-4-5-16(20(31)29-22-28-13(2)11-32-22)9-19(12)15-6-7-18-17(8-15)10-27-30-21(18)33-14(3)23(24,25)26/h4-11,14H,1-3H3,(H,28,29,31)
InChIKeyGZPAPEZCDIBACU-UHFFFAOYSA-N
XLogP5.48
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide 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 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide?
The IUPAC name of 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide (CID 24855644) is 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide?
The canonical SMILES for 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide is Cc1coc(NC(=O)c2ccc(C)c(-c3ccc4c(OC(C)C(F)(F)F)nncc4c3)c2)n1.
What is the InChIKey of 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide?
The InChIKey is GZPAPEZCDIBACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-12-4-5-16(20(31)29-22-28-13(2)11-32-22)9-19(12)15-6-7-18-17(8-15)10-27-30-21(18)33-14(3)23(24,25)26/h4-11,14H,1-3H3,(H,28,29,31).
What are the key properties of 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide?
4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide has a molecular weight of 456.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-1,3-oxazol-2-yl)-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide is sourced from PubChem (CID 24855644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).