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

C16H8F4N4O — CID 155585103

IUPAC5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)c(F)c3)o2)cn1
InChIInChI=1S/C16H8F4N4O/c17-13-5-9(1-4-12(13)16(18,19)20)14-8-23-15(25-14)24-11-3-2-10(6-21)22-7-11/h1-5,7-8H,(H,23,24)
InChIKeySBOWADOVJZFVFP-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.51
Rot. Bonds3

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

5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 155585103) has the molecular formula C16H8F4N4O and a molecular weight of 348.26 g/mol. Its IUPAC name is 5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
PubChem CID155585103
Molecular FormulaC16H8F4N4O
Molecular Weight348.26 g/mol
Exact Mass348.06
IUPAC Name5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)c(F)c3)o2)cn1
InChIInChI=1S/C16H8F4N4O/c17-13-5-9(1-4-12(13)16(18,19)20)14-8-23-15(25-14)24-11-3-2-10(6-21)22-7-11/h1-5,7-8H,(H,23,24)
InChIKeySBOWADOVJZFVFP-UHFFFAOYSA-N
XLogP4.51
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (CID 155585103) is 5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)c(F)c3)o2)cn1.
What is the InChIKey of 5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is SBOWADOVJZFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F4N4O/c17-13-5-9(1-4-12(13)16(18,19)20)14-8-23-15(25-14)24-11-3-2-10(6-21)22-7-11/h1-5,7-8H,(H,23,24).
What are the key properties of 5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 348.26 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155585103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).