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

C15H8F3N5O — CID 155585143

IUPAC5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1
InChIInChI=1S/C15H8F3N5O/c16-15(17,18)9-1-4-12(21-6-9)13-8-22-14(24-13)23-11-3-2-10(5-19)20-7-11/h1-4,6-8H,(H,22,23)
InChIKeyUCXYNMRNJNOACE-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.77
Rot. Bonds3

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

5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 155585143) has the molecular formula C15H8F3N5O and a molecular weight of 331.26 g/mol. Its IUPAC name is 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
PubChem CID155585143
Molecular FormulaC15H8F3N5O
Molecular Weight331.26 g/mol
Exact Mass331.07
IUPAC Name5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1
InChIInChI=1S/C15H8F3N5O/c16-15(17,18)9-1-4-12(21-6-9)13-8-22-14(24-13)23-11-3-2-10(5-19)20-7-11/h1-4,6-8H,(H,22,23)
InChIKeyUCXYNMRNJNOACE-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 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (CID 155585143) is 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1.
What is the InChIKey of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is UCXYNMRNJNOACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5O/c16-15(17,18)9-1-4-12(21-6-9)13-8-22-14(24-13)23-11-3-2-10(5-19)20-7-11/h1-4,6-8H,(H,22,23).
What are the key properties of 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-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 5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155585143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).