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

C14H15N5O2 — CID 91915233

IUPAC[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C14H15N5O2/c20-14(11-7-15-4-5-16-11)19-6-3-10(8-19)12-17-13(21-18-12)9-1-2-9/h4-5,7,9-10H,1-3,6,8H2
InChIKeyHNQWLVHUMKGLRU-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.37
Rot. Bonds3

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

[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 91915233) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID91915233
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(c2noc(C3CC3)n2)C1
InChIInChI=1S/C14H15N5O2/c20-14(11-7-15-4-5-16-11)19-6-3-10(8-19)12-17-13(21-18-12)9-1-2-9/h4-5,7,9-10H,1-3,6,8H2
InChIKeyHNQWLVHUMKGLRU-UHFFFAOYSA-N
XLogP1.37
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 91915233) is [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(c2noc(C3CC3)n2)C1.
What is the InChIKey of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is HNQWLVHUMKGLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-14(11-7-15-4-5-16-11)19-6-3-10(8-19)12-17-13(21-18-12)9-1-2-9/h4-5,7,9-10H,1-3,6,8H2.
What are the key properties of [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 285.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 91915233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).