2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione

C23H18N4O3 — CID 142422405

IUPAC2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
SMILESO=c1c2cccc(=O)n2ccn1Cc1nc([C@@H]2[C@H]3C=C(c4ccccc4)C[C@H]32)no1
InChIInChI=1S/C23H18N4O3/c28-20-8-4-7-18-23(29)26(9-10-27(18)20)13-19-24-22(25-30-19)21-16-11-15(12-17(16)21)14-5-2-1-3-6-14/h1-11,16-17,21H,12-13H2/t16-,17+,21+/m0/s1
InChIKeyIORSMGCJYPRZSZ-CSODHUTKSA-N
MW398.42 g/mol
LogP2.71
Rot. Bonds4

About 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione

2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 142422405) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
PubChem CID142422405
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione
SMILESO=c1c2cccc(=O)n2ccn1Cc1nc([C@@H]2[C@H]3C=C(c4ccccc4)C[C@H]32)no1
InChIInChI=1S/C23H18N4O3/c28-20-8-4-7-18-23(29)26(9-10-27(18)20)13-19-24-22(25-30-19)21-16-11-15(12-17(16)21)14-5-2-1-3-6-14/h1-11,16-17,21H,12-13H2/t16-,17+,21+/m0/s1
InChIKeyIORSMGCJYPRZSZ-CSODHUTKSA-N
XLogP2.71
TPSA82.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione (CID 142422405) is 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione is O=c1c2cccc(=O)n2ccn1Cc1nc([C@@H]2[C@H]3C=C(c4ccccc4)C[C@H]32)no1.
What is the InChIKey of 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is IORSMGCJYPRZSZ-CSODHUTKSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-20-8-4-7-18-23(29)26(9-10-27(18)20)13-19-24-22(25-30-19)21-16-11-15(12-17(16)21)14-5-2-1-3-6-14/h1-11,16-17,21H,12-13H2/t16-,17+,21+/m0/s1.
What are the key properties of 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione?
2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 398.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 142422405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).