(5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C20H19N5O2 — CID 92562937

IUPAC(5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1cnc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C20H19N5O2/c1-12-10-22-16(11-21-12)20(26)25-15-8-7-14(9-15)17(25)19-23-18(24-27-19)13-5-3-2-4-6-13/h2-6,10-11,14-15,17H,7-9H2,1H3/t14-,15+,17-/m0/s1
InChIKeyNOQOSDLZQIAODE-UXLLHSPISA-N
MW361.41 g/mol
LogP3.20
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone

(5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 92562937) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID92562937
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name(5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1cnc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C20H19N5O2/c1-12-10-22-16(11-21-12)20(26)25-15-8-7-14(9-15)17(25)19-23-18(24-27-19)13-5-3-2-4-6-13/h2-6,10-11,14-15,17H,7-9H2,1H3/t14-,15+,17-/m0/s1
InChIKeyNOQOSDLZQIAODE-UXLLHSPISA-N
XLogP3.20
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Related Compounds

[(1R,3S,4S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone
CID 92570388
(6-methyl-3-pyridinyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95286685
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 78149390
5-[(3R)-2-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 110224733
(3-methyl-1,2-oxazol-5-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946331
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 87053040
(2-methyl-1,3-thiazol-5-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70769319
2-(6-methyl-3-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 138024658
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103729
(1S,2S,3S,4R)-N-[(1-methylimidazol-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 171336878
[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 92562937) is (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1cnc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2c2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is NOQOSDLZQIAODE-UXLLHSPISA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-10-22-16(11-21-12)20(26)25-15-8-7-14(9-15)17(25)19-23-18(24-27-19)13-5-3-2-4-6-13/h2-6,10-11,14-15,17H,7-9H2,1H3/t14-,15+,17-/m0/s1.
What are the key properties of (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
(5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 361.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[(1R,3S,4S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 92562937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).