(1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

C16H23N5O4 — CID 91909837

IUPAC(1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCOCCOCc1nc(C2CCN(C(=O)c3cc(C)n(C)n3)C2)no1
InChIInChI=1S/C16H23N5O4/c1-11-8-13(18-20(11)2)16(22)21-5-4-12(9-21)15-17-14(25-19-15)10-24-7-6-23-3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyCKFXOBQFUNGRPY-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.90
Rot. Bonds7

About (1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 91909837) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID91909837
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCOCCOCc1nc(C2CCN(C(=O)c3cc(C)n(C)n3)C2)no1
InChIInChI=1S/C16H23N5O4/c1-11-8-13(18-20(11)2)16(22)21-5-4-12(9-21)15-17-14(25-19-15)10-24-7-6-23-3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyCKFXOBQFUNGRPY-UHFFFAOYSA-N
XLogP0.90
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (CID 91909837) is (1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is COCCOCc1nc(C2CCN(C(=O)c3cc(C)n(C)n3)C2)no1.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is CKFXOBQFUNGRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-11-8-13(18-20(11)2)16(22)21-5-4-12(9-21)15-17-14(25-19-15)10-24-7-6-23-3/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 349.39 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[3-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91909837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).