2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C22H23FN4O3 — CID 45165857

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCc1cnc(C)c(-c2cc(F)cc3c2OC(CNC(=O)Cc2c(C)noc2C)C3)n1
InChIInChI=1S/C22H23FN4O3/c1-11-9-24-13(3)21(26-11)19-7-16(23)5-15-6-17(29-22(15)19)10-25-20(28)8-18-12(2)27-30-14(18)4/h5,7,9,17H,6,8,10H2,1-4H3,(H,25,28)
InChIKeyGCGKULIJABTRBX-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.17
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 45165857) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID45165857
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCc1cnc(C)c(-c2cc(F)cc3c2OC(CNC(=O)Cc2c(C)noc2C)C3)n1
InChIInChI=1S/C22H23FN4O3/c1-11-9-24-13(3)21(26-11)19-7-16(23)5-15-6-17(29-22(15)19)10-25-20(28)8-18-12(2)27-30-14(18)4/h5,7,9,17H,6,8,10H2,1-4H3,(H,25,28)
InChIKeyGCGKULIJABTRBX-UHFFFAOYSA-N
XLogP3.17
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 45165857) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is Cc1cnc(C)c(-c2cc(F)cc3c2OC(CNC(=O)Cc2c(C)noc2C)C3)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is GCGKULIJABTRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-11-9-24-13(3)21(26-11)19-7-16(23)5-15-6-17(29-22(15)19)10-25-20(28)8-18-12(2)27-30-14(18)4/h5,7,9,17H,6,8,10H2,1-4H3,(H,25,28).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 45165857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).