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

C17H23N5O3 — CID 99753529

IUPAC(2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H]2c2nc(C3CCOCC3)no2)n(C)n1
InChIInChI=1S/C17H23N5O3/c1-11-10-14(21(2)19-11)17(23)22-7-3-4-13(22)16-18-15(20-25-16)12-5-8-24-9-6-12/h10,12-13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyVOPDYCLOKPKGPE-ZDUSSCGKSA-N
MW345.40 g/mol
LogP1.98
Rot. Bonds3

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

(2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 99753529) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID99753529
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H]2c2nc(C3CCOCC3)no2)n(C)n1
InChIInChI=1S/C17H23N5O3/c1-11-10-14(21(2)19-11)17(23)22-7-3-4-13(22)16-18-15(20-25-16)12-5-8-24-9-6-12/h10,12-13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyVOPDYCLOKPKGPE-ZDUSSCGKSA-N
XLogP1.98
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone (CID 99753529) is (2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@H]2c2nc(C3CCOCC3)no2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is VOPDYCLOKPKGPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-10-14(21(2)19-11)17(23)22-7-3-4-13(22)16-18-15(20-25-16)12-5-8-24-9-6-12/h10,12-13H,3-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99753529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).