[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C19H21N5O2S — CID 129416745

IUPAC[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1
InChIInChI=1S/C19H21N5O2S/c1-3-7-16-17(27-23-21-16)19(25)24-10-14(13-8-5-4-6-9-13)15(11-24)18-20-12(2)22-26-18/h4-6,8-9,14-15H,3,7,10-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyHBDWEYNNTYDRAX-CABCVRRESA-N
MW383.48 g/mol
LogP3.21
Rot. Bonds5

About [(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 129416745) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is [(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID129416745
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1
InChIInChI=1S/C19H21N5O2S/c1-3-7-16-17(27-23-21-16)19(25)24-10-14(13-8-5-4-6-9-13)15(11-24)18-20-12(2)22-26-18/h4-6,8-9,14-15H,3,7,10-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyHBDWEYNNTYDRAX-CABCVRRESA-N
XLogP3.21
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 129417393
[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129416756
(4-methoxyphenyl)-[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 87051849
(4-methoxyphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 156601842
[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129417122
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417214
1,3-benzothiazol-2-yl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 91818932
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 129418052
[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 129418054
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124856033
methyl 4-[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]benzoate
CID 100756690
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 124854834

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 129416745) is [(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1.
What is the InChIKey of [(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is HBDWEYNNTYDRAX-CABCVRRESA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-3-7-16-17(27-23-21-16)19(25)24-10-14(13-8-5-4-6-9-13)15(11-24)18-20-12(2)22-26-18/h4-6,8-9,14-15H,3,7,10-11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 383.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 129416745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).