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

C13H18N4O2 — CID 95766241

IUPAC5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1nc([C@@H]2CCCN2Cc2cc(C)on2)no1
InChIInChI=1S/C13H18N4O2/c1-3-12-14-13(16-19-12)11-5-4-6-17(11)8-10-7-9(2)18-15-10/h7,11H,3-6,8H2,1-2H3/t11-/m0/s1
InChIKeyPYYBMDAKANETKG-NSHDSACASA-N
MW262.31 g/mol
LogP2.27
Rot. Bonds4

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

5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 95766241) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID95766241
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1nc([C@@H]2CCCN2Cc2cc(C)on2)no1
InChIInChI=1S/C13H18N4O2/c1-3-12-14-13(16-19-12)11-5-4-6-17(11)8-10-7-9(2)18-15-10/h7,11H,3-6,8H2,1-2H3/t11-/m0/s1
InChIKeyPYYBMDAKANETKG-NSHDSACASA-N
XLogP2.27
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole 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 5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 95766241) is 5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is CCc1nc([C@@H]2CCCN2Cc2cc(C)on2)no1.
What is the InChIKey of 5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is PYYBMDAKANETKG-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-12-14-13(16-19-12)11-5-4-6-17(11)8-10-7-9(2)18-15-10/h7,11H,3-6,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95766241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).