3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide

C15H12F3N7O2 — CID 121351303

IUPAC3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2nccnc2C(F)(F)F)c(N)nc1-c1ncco1
InChIInChI=1S/C15H12F3N7O2/c1-7-9(14-22-4-5-27-14)25-12(19)10(24-7)13(26)23-6-8-11(15(16,17)18)21-3-2-20-8/h2-5H,6H2,1H3,(H2,19,25)(H,23,26)
InChIKeyWEFUUVZHUNCQNU-UHFFFAOYSA-N
MW379.30 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 121351303) has the molecular formula C15H12F3N7O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID121351303
Molecular FormulaC15H12F3N7O2
Molecular Weight379.30 g/mol
Exact Mass379.10
IUPAC Name3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2nccnc2C(F)(F)F)c(N)nc1-c1ncco1
InChIInChI=1S/C15H12F3N7O2/c1-7-9(14-22-4-5-27-14)25-12(19)10(24-7)13(26)23-6-8-11(15(16,17)18)21-3-2-20-8/h2-5H,6H2,1H3,(H2,19,25)(H,23,26)
InChIKeyWEFUUVZHUNCQNU-UHFFFAOYSA-N
XLogP1.76
TPSA132.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide (CID 121351303) is 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide is Cc1nc(C(=O)NCc2nccnc2C(F)(F)F)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is WEFUUVZHUNCQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N7O2/c1-7-9(14-22-4-5-27-14)25-12(19)10(24-7)13(26)23-6-8-11(15(16,17)18)21-3-2-20-8/h2-5H,6H2,1H3,(H2,19,25)(H,23,26).
What are the key properties of 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide?
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 121351303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).