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

C15H11F3N6O — CID 121351450

IUPAC5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile
SMILESN#CC1C(c2ncco2)=NC(N)=CN1Cc1ncccc1C(F)(F)F
InChIInChI=1S/C15H11F3N6O/c16-15(17,18)9-2-1-3-21-10(9)7-24-8-12(20)23-13(11(24)6-19)14-22-4-5-25-14/h1-5,8,11H,7,20H2
InChIKeyYWHOCPYKPDUYKF-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.04
Rot. Bonds3

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

5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile (PubChem CID 121351450) has the molecular formula C15H11F3N6O and a molecular weight of 348.29 g/mol. Its IUPAC name is 5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile
PubChem CID121351450
Molecular FormulaC15H11F3N6O
Molecular Weight348.29 g/mol
Exact Mass348.09
IUPAC Name5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile
SMILESN#CC1C(c2ncco2)=NC(N)=CN1Cc1ncccc1C(F)(F)F
InChIInChI=1S/C15H11F3N6O/c16-15(17,18)9-2-1-3-21-10(9)7-24-8-12(20)23-13(11(24)6-19)14-22-4-5-25-14/h1-5,8,11H,7,20H2
InChIKeyYWHOCPYKPDUYKF-UHFFFAOYSA-N
XLogP2.04
TPSA104.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile?
The IUPAC name of 5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile (CID 121351450) is 5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile.
What is the SMILES notation for 5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile?
The canonical SMILES for 5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile is N#CC1C(c2ncco2)=NC(N)=CN1Cc1ncccc1C(F)(F)F.
What is the InChIKey of 5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile?
The InChIKey is YWHOCPYKPDUYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O/c16-15(17,18)9-2-1-3-21-10(9)7-24-8-12(20)23-13(11(24)6-19)14-22-4-5-25-14/h1-5,8,11H,7,20H2.
What are the key properties of 5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile?
5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile has a molecular weight of 348.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1,3-oxazol-2-yl)-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2H-pyrazine-2-carbonitrile is sourced from PubChem (CID 121351450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).