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

C16H23N5O2 — CID 72847604

IUPAC[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCC[C@H]2c2nc(CC)no2)c(C)n1
InChIInChI=1S/C16H23N5O2/c1-4-8-20-10-12(11(3)18-20)16(22)21-9-6-7-13(21)15-17-14(5-2)19-23-15/h10,13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyRZGJUUFETLUAIE-ZDUSSCGKSA-N
MW317.39 g/mol
LogP2.52
Rot. Bonds5

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

[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 72847604) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID72847604
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCC[C@H]2c2nc(CC)no2)c(C)n1
InChIInChI=1S/C16H23N5O2/c1-4-8-20-10-12(11(3)18-20)16(22)21-9-6-7-13(21)15-17-14(5-2)19-23-15/h10,13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyRZGJUUFETLUAIE-ZDUSSCGKSA-N
XLogP2.52
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone (CID 72847604) is [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)N2CCC[C@H]2c2nc(CC)no2)c(C)n1.
What is the InChIKey of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is RZGJUUFETLUAIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-8-20-10-12(11(3)18-20)16(22)21-9-6-7-13(21)15-17-14(5-2)19-23-15/h10,13H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 72847604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).