3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C15H14F3N7O2 — CID 121351163

IUPAC3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2nc(C(F)(F)F)cn2C)c(N)nc1-c1ncco1
InChIInChI=1S/C15H14F3N7O2/c1-7-10(14-20-3-4-27-14)24-12(19)11(22-7)13(26)21-5-9-23-8(6-25(9)2)15(16,17)18/h3-4,6H,5H2,1-2H3,(H2,19,24)(H,21,26)
InChIKeyRAOCVAOSZMHGSV-UHFFFAOYSA-N
MW381.32 g/mol
LogP1.70
Rot. Bonds4

About 3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351163) has the molecular formula C15H14F3N7O2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351163
Molecular FormulaC15H14F3N7O2
Molecular Weight381.32 g/mol
Exact Mass381.12
IUPAC Name3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2nc(C(F)(F)F)cn2C)c(N)nc1-c1ncco1
InChIInChI=1S/C15H14F3N7O2/c1-7-10(14-20-3-4-27-14)24-12(19)11(22-7)13(26)21-5-9-23-8(6-25(9)2)15(16,17)18/h3-4,6H,5H2,1-2H3,(H2,19,24)(H,21,26)
InChIKeyRAOCVAOSZMHGSV-UHFFFAOYSA-N
XLogP1.70
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 51.70
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-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 121351163) is 3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1nc(C(=O)NCc2nc(C(F)(F)F)cn2C)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is RAOCVAOSZMHGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O2/c1-7-10(14-20-3-4-27-14)24-12(19)11(22-7)13(26)21-5-9-23-8(6-25(9)2)15(16,17)18/h3-4,6H,5H2,1-2H3,(H2,19,24)(H,21,26).
What are the key properties of 3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 381.32 g/mol, XLogP of 1.70, 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-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).