6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile

C14H8FN5O — CID 155585577

IUPAC6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1
InChIInChI=1S/C14H8FN5O/c15-10-3-1-9(2-4-10)12-8-17-14(21-12)18-13-6-5-11(7-16)19-20-13/h1-6,8H,(H,17,18,20)
InChIKeyMWNLIMMATXYOID-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.89
Rot. Bonds3

About 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile

6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile (PubChem CID 155585577) has the molecular formula C14H8FN5O and a molecular weight of 281.25 g/mol. Its IUPAC name is 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
PubChem CID155585577
Molecular FormulaC14H8FN5O
Molecular Weight281.25 g/mol
Exact Mass281.07
IUPAC Name6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1
InChIInChI=1S/C14H8FN5O/c15-10-3-1-9(2-4-10)12-8-17-14(21-12)18-13-6-5-11(7-16)19-20-13/h1-6,8H,(H,17,18,20)
InChIKeyMWNLIMMATXYOID-UHFFFAOYSA-N
XLogP2.89
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile 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 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile (CID 155585577) is 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile is N#Cc1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1.
What is the InChIKey of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
The InChIKey is MWNLIMMATXYOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5O/c15-10-3-1-9(2-4-10)12-8-17-14(21-12)18-13-6-5-11(7-16)19-20-13/h1-6,8H,(H,17,18,20).
What are the key properties of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile has a molecular weight of 281.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 155585577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).