[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C20H18F4N4O3 — CID 155196886

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)Cc2cnc(C(C)(O)C(F)(F)F)n21
InChIInChI=1S/C20H18F4N4O3/c1-11-9-27(10-14-8-25-18(28(11)14)19(2,30)20(22,23)24)17(29)15-7-16(31-26-15)12-3-5-13(21)6-4-12/h3-8,11,30H,9-10H2,1-2H3/t11-,19?/m0/s1
InChIKeyDWFZVULACSFMRM-IFGYVTRGSA-N
MW438.38 g/mol
LogP3.66
Rot. Bonds3

About [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 155196886) has the molecular formula C20H18F4N4O3 and a molecular weight of 438.38 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID155196886
Molecular FormulaC20H18F4N4O3
Molecular Weight438.38 g/mol
Exact Mass438.13
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)Cc2cnc(C(C)(O)C(F)(F)F)n21
InChIInChI=1S/C20H18F4N4O3/c1-11-9-27(10-14-8-25-18(28(11)14)19(2,30)20(22,23)24)17(29)15-7-16(31-26-15)12-3-5-13(21)6-4-12/h3-8,11,30H,9-10H2,1-2H3/t11-,19?/m0/s1
InChIKeyDWFZVULACSFMRM-IFGYVTRGSA-N
XLogP3.66
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 155196886) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)Cc2cnc(C(C)(O)C(F)(F)F)n21.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is DWFZVULACSFMRM-IFGYVTRGSA-N. The full InChI is InChI=1S/C20H18F4N4O3/c1-11-9-27(10-14-8-25-18(28(11)14)19(2,30)20(22,23)24)17(29)15-7-16(31-26-15)12-3-5-13(21)6-4-12/h3-8,11,30H,9-10H2,1-2H3/t11-,19?/m0/s1.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 438.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 155196886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).