tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate

C15H25N3O3 — CID 80999649

IUPACtert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCCCc1noc(CN2CCC[C@H]2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H25N3O3/c1-5-7-12-16-13(21-17-12)10-18-9-6-8-11(18)14(19)20-15(2,3)4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyYKTFOJVDXTVWQN-NSHDSACASA-N
MW295.38 g/mol
LogP2.33
Rot. Bonds5

About tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate

tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 80999649) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID80999649
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCCCc1noc(CN2CCC[C@H]2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H25N3O3/c1-5-7-12-16-13(21-17-12)10-18-9-6-8-11(18)14(19)20-15(2,3)4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyYKTFOJVDXTVWQN-NSHDSACASA-N
XLogP2.33
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787
tert-butyl (2R)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80709145
tert-butyl 1-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 154766241
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 61495823
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62654263
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544032
methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038420
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55852788
ethyl (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 81338191

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate (CID 80999649) is tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate is CCCc1noc(CN2CCC[C@H]2C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is YKTFOJVDXTVWQN-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-7-12-16-13(21-17-12)10-18-9-6-8-11(18)14(19)20-15(2,3)4/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 80999649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).