3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole

C13H17N5O — CID 95767777

IUPAC3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCCc1cc(N2CCC[C@H]2c2noc(C)n2)ncn1
InChIInChI=1S/C13H17N5O/c1-3-10-7-12(15-8-14-10)18-6-4-5-11(18)13-16-9(2)19-17-13/h7-8,11H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyUIZQVMYILBGVPH-NSHDSACASA-N
MW259.31 g/mol
LogP2.07
Rot. Bonds3

About 3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole

3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 95767777) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID95767777
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCCc1cc(N2CCC[C@H]2c2noc(C)n2)ncn1
InChIInChI=1S/C13H17N5O/c1-3-10-7-12(15-8-14-10)18-6-4-5-11(18)13-16-9(2)19-17-13/h7-8,11H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyUIZQVMYILBGVPH-NSHDSACASA-N
XLogP2.07
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 129610123
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CID 56917306
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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole (CID 95767777) is 3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole is CCc1cc(N2CCC[C@H]2c2noc(C)n2)ncn1.
What is the InChIKey of 3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is UIZQVMYILBGVPH-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-10-7-12(15-8-14-10)18-6-4-5-11(18)13-16-9(2)19-17-13/h7-8,11H,3-6H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95767777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).