N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide

C22H16F3N5O3 — CID 155585500

IUPACN-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C22H16F3N5O3/c23-22(24,25)16-8-6-15(7-9-16)18-12-26-21(33-18)27-19-11-10-17(28-29-19)20(31)30-32-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,30,31)(H,26,27,29)
InChIKeyHBWVJOYZBVUOSP-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.76
Rot. Bonds7

About N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide

N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide (PubChem CID 155585500) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
PubChem CID155585500
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC NameN-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C22H16F3N5O3/c23-22(24,25)16-8-6-15(7-9-16)18-12-26-21(33-18)27-19-11-10-17(28-29-19)20(31)30-32-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,30,31)(H,26,27,29)
InChIKeyHBWVJOYZBVUOSP-UHFFFAOYSA-N
XLogP4.76
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide 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 N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
The IUPAC name of N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide (CID 155585500) is N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
The canonical SMILES for N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide is O=C(NOCc1ccccc1)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1.
What is the InChIKey of N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
The InChIKey is HBWVJOYZBVUOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c23-22(24,25)16-8-6-15(7-9-16)18-12-26-21(33-18)27-19-11-10-17(28-29-19)20(31)30-32-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,30,31)(H,26,27,29).
What are the key properties of N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide has a molecular weight of 455.40 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 155585500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).