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

C15H15F2N7O2 — CID 121351343

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

3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351343) has the molecular formula C15H15F2N7O2 and a molecular weight of 363.33 g/mol. Its IUPAC name is 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
• PubChem CID: 121351343
• Molecular Formula: C15H15F2N7O2
• Molecular Weight: 363.33 g/mol
• Exact Mass: 363.13
• IUPAC Name: 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
• SMILES: Cc1nc(C(=O)NCc2nccn2CC(F)F)c(N)nc1-c1ncco1
• InChI: InChI=1S/C15H15F2N7O2/c1-8-11(15-20-3-5-26-15)23-13(18)12(22-8)14(25)21-6-10-19-2-4-24(10)7-9(16)17/h2-5,9H,6-7H2,1H3,(H2,18,23)(H,21,25)
• InChIKey: XIGVKHZXDZYAED-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 124.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.33
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 121351343) is 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1nc(C(=O)NCc2nccn2CC(F)F)c(N)nc1-c1ncco1.

What is the InChIKey of 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The InChIKey is XIGVKHZXDZYAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7O2/c1-8-11(15-20-3-5-26-15)23-13(18)12(22-8)14(25)21-6-10-19-2-4-24(10)7-9(16)17/h2-5,9H,6-7H2,1H3,(H2,18,23)(H,21,25).

What are the key properties of 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 363.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).