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

C13H15N5O2 — CID 87053068

IUPAC[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1noc([C@@H]2CN(C(=O)c3cnccn3)C[C@H]2C)n1
InChIInChI=1S/C13H15N5O2/c1-8-6-18(13(19)11-5-14-3-4-15-11)7-10(8)12-16-9(2)17-20-12/h3-5,8,10H,6-7H2,1-2H3/t8-,10-/m1/s1
InChIKeyUKGLAOSLHOUTPV-PSASIEDQSA-N
MW273.30 g/mol
LogP1.04
Rot. Bonds2

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

[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 87053068) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is [(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID87053068
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1noc([C@@H]2CN(C(=O)c3cnccn3)C[C@H]2C)n1
InChIInChI=1S/C13H15N5O2/c1-8-6-18(13(19)11-5-14-3-4-15-11)7-10(8)12-16-9(2)17-20-12/h3-5,8,10H,6-7H2,1-2H3/t8-,10-/m1/s1
InChIKeyUKGLAOSLHOUTPV-PSASIEDQSA-N
XLogP1.04
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 87053068) is [(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is Cc1noc([C@@H]2CN(C(=O)c3cnccn3)C[C@H]2C)n1.
What is the InChIKey of [(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is UKGLAOSLHOUTPV-PSASIEDQSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-6-18(13(19)11-5-14-3-4-15-11)7-10(8)12-16-9(2)17-20-12/h3-5,8,10H,6-7H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of [(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 273.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 87053068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).