5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide

C20H18N6O2 — CID 75202694

IUPAC5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C20H18N6O2/c27-19(17-23-20(28-24-17)14-5-2-1-3-6-14)22-15-8-11-26(13-15)18-16-7-4-10-25(16)12-9-21-18/h1-7,9-10,12,15H,8,11,13H2,(H,22,27)/t15-/m0/s1
InChIKeyWYFVLAANQFQPHR-HNNXBMFYSA-N
MW374.40 g/mol
LogP2.39
Rot. Bonds4

About 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide

5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 75202694) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID75202694
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1noc(-c2ccccc2)n1
InChIInChI=1S/C20H18N6O2/c27-19(17-23-20(28-24-17)14-5-2-1-3-6-14)22-15-8-11-26(13-15)18-16-7-4-10-25(16)12-9-21-18/h1-7,9-10,12,15H,8,11,13H2,(H,22,27)/t15-/m0/s1
InChIKeyWYFVLAANQFQPHR-HNNXBMFYSA-N
XLogP2.39
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide (CID 75202694) is 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide is O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1noc(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is WYFVLAANQFQPHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-19(17-23-20(28-24-17)14-5-2-1-3-6-14)22-15-8-11-26(13-15)18-16-7-4-10-25(16)12-9-21-18/h1-7,9-10,12,15H,8,11,13H2,(H,22,27)/t15-/m0/s1.
What are the key properties of 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide?
5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 75202694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).