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

C14H7F2N5O — CID 155585129

IUPAC6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)nn1
InChIInChI=1S/C14H7F2N5O/c15-10-3-1-8(5-11(10)16)12-7-18-14(22-12)19-13-4-2-9(6-17)20-21-13/h1-5,7H,(H,18,19,21)
InChIKeyYEIBEXRNJXMJEQ-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.03
Rot. Bonds3

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

6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile (PubChem CID 155585129) has the molecular formula C14H7F2N5O and a molecular weight of 299.24 g/mol. Its IUPAC name is 6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
PubChem CID155585129
Molecular FormulaC14H7F2N5O
Molecular Weight299.24 g/mol
Exact Mass299.06
IUPAC Name6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)nn1
InChIInChI=1S/C14H7F2N5O/c15-10-3-1-8(5-11(10)16)12-7-18-14(22-12)19-13-4-2-9(6-17)20-21-13/h1-5,7H,(H,18,19,21)
InChIKeyYEIBEXRNJXMJEQ-UHFFFAOYSA-N
XLogP3.03
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile (CID 155585129) is 6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile is N#Cc1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)nn1.
What is the InChIKey of 6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
The InChIKey is YEIBEXRNJXMJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N5O/c15-10-3-1-8(5-11(10)16)12-7-18-14(22-12)19-13-4-2-9(6-17)20-21-13/h1-5,7H,(H,18,19,21).
What are the key properties of 6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile?
6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile has a molecular weight of 299.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 155585129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).