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

C15H8F3N5O — CID 155585214

IUPAC6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C15H8F3N5O/c16-15(17,18)10-3-1-9(2-4-10)12-8-20-14(24-12)21-13-6-5-11(7-19)22-23-13/h1-6,8H,(H,20,21,23)
InChIKeyPUTQONKTHYSYDU-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.77
Rot. Bonds3

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

6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile (PubChem CID 155585214) has the molecular formula C15H8F3N5O and a molecular weight of 331.26 g/mol. Its IUPAC name is 6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
PubChem CID155585214
Molecular FormulaC15H8F3N5O
Molecular Weight331.26 g/mol
Exact Mass331.07
IUPAC Name6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C15H8F3N5O/c16-15(17,18)10-3-1-9(2-4-10)12-8-20-14(24-12)21-13-6-5-11(7-19)22-23-13/h1-6,8H,(H,20,21,23)
InChIKeyPUTQONKTHYSYDU-UHFFFAOYSA-N
XLogP3.77
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile (CID 155585214) is 6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile is N#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1.
What is the InChIKey of 6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
The InChIKey is PUTQONKTHYSYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5O/c16-15(17,18)10-3-1-9(2-4-10)12-8-20-14(24-12)21-13-6-5-11(7-19)22-23-13/h1-6,8H,(H,20,21,23).
What are the key properties of 6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile has a molecular weight of 331.26 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 155585214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).