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

C14H17N5O2 — CID 164641251

IUPAC[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESCc1nc(CC[C@H]2CCN(C(=O)c3ccncn3)C2)no1
InChIInChI=1S/C14H17N5O2/c1-10-17-13(18-21-10)3-2-11-5-7-19(8-11)14(20)12-4-6-15-9-16-12/h4,6,9,11H,2-3,5,7-8H2,1H3/t11-/m0/s1
InChIKeyBAQZFMNATAZUFP-NSHDSACASA-N
MW287.32 g/mol
LogP1.26
Rot. Bonds4

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

[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 164641251) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID164641251
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESCc1nc(CC[C@H]2CCN(C(=O)c3ccncn3)C2)no1
InChIInChI=1S/C14H17N5O2/c1-10-17-13(18-21-10)3-2-11-5-7-19(8-11)14(20)12-4-6-15-9-16-12/h4,6,9,11H,2-3,5,7-8H2,1H3/t11-/m0/s1
InChIKeyBAQZFMNATAZUFP-NSHDSACASA-N
XLogP1.26
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone (CID 164641251) is [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone is Cc1nc(CC[C@H]2CCN(C(=O)c3ccncn3)C2)no1.
What is the InChIKey of [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is BAQZFMNATAZUFP-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-17-13(18-21-10)3-2-11-5-7-19(8-11)14(20)12-4-6-15-9-16-12/h4,6,9,11H,2-3,5,7-8H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 287.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 164641251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).