N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

C17H12F2N4O4 — CID 90396544

IUPACN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3conc3C)cn1)OC(F)(F)O2
InChIInChI=1S/C17H12F2N4O4/c1-8-3-13-14(27-17(18,19)26-13)4-10(8)12-5-21-15(6-20-12)22-16(24)11-7-25-23-9(11)2/h3-7H,1-2H3,(H,21,22,24)
InChIKeyAFAGURIBYLCDBR-UHFFFAOYSA-N
MW374.30 g/mol
LogP3.32
Rot. Bonds3

About N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 90396544) has the molecular formula C17H12F2N4O4 and a molecular weight of 374.30 g/mol. Its IUPAC name is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID90396544
Molecular FormulaC17H12F2N4O4
Molecular Weight374.30 g/mol
Exact Mass374.08
IUPAC NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3conc3C)cn1)OC(F)(F)O2
InChIInChI=1S/C17H12F2N4O4/c1-8-3-13-14(27-17(18,19)26-13)4-10(8)12-5-21-15(6-20-12)22-16(24)11-7-25-23-9(11)2/h3-7H,1-2H3,(H,21,22,24)
InChIKeyAFAGURIBYLCDBR-UHFFFAOYSA-N
XLogP3.32
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 90396544) is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3conc3C)cn1)OC(F)(F)O2.
What is the InChIKey of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is AFAGURIBYLCDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O4/c1-8-3-13-14(27-17(18,19)26-13)4-10(8)12-5-21-15(6-20-12)22-16(24)11-7-25-23-9(11)2/h3-7H,1-2H3,(H,21,22,24).
What are the key properties of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 374.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 90396544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).