[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C17H15N5O2 — CID 87053040

IUPAC[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C17H15N5O2/c23-17(14-10-18-7-8-19-14)22-9-6-13(11-22)16-20-15(21-24-16)12-4-2-1-3-5-12/h1-5,7-8,10,13H,6,9,11H2
InChIKeyJMUXKVZXKYOCJD-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.16
Rot. Bonds3

About [3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 87053040) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is [3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID87053040
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C17H15N5O2/c23-17(14-10-18-7-8-19-14)22-9-6-13(11-22)16-20-15(21-24-16)12-4-2-1-3-5-12/h1-5,7-8,10,13H,6,9,11H2
InChIKeyJMUXKVZXKYOCJD-UHFFFAOYSA-N
XLogP2.16
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91946483
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
pyridin-2-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577676
[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91892086
pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137843
pyridin-3-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577678
pyrazin-2-yl-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192003
3H-benzimidazol-5-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87053044
[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91918799
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
(1-methylpyrazol-3-yl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92567101
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110224443

Frequently Asked Questions

What is the IUPAC name of [3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 87053040) is [3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of [3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is JMUXKVZXKYOCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-17(14-10-18-7-8-19-14)22-9-6-13(11-22)16-20-15(21-24-16)12-4-2-1-3-5-12/h1-5,7-8,10,13H,6,9,11H2.
What are the key properties of [3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 321.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 87053040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).