5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

C15H22N4O2S — CID 128971436

IUPAC5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCCc1nc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cs1
InChIInChI=1S/C15H22N4O2S/c1-4-5-14-17-11(9-22-14)7-19-8-12(20-3)6-13(19)15-16-10(2)18-21-15/h9,12-13H,4-8H2,1-3H3/t12-,13-/m1/s1
InChIKeyWMJPTZADOGNKRB-CHWSQXEVSA-N
MW322.43 g/mol
LogP2.75
Rot. Bonds6

About 5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 128971436) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID128971436
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCCc1nc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cs1
InChIInChI=1S/C15H22N4O2S/c1-4-5-14-17-11(9-22-14)7-19-8-12(20-3)6-13(19)15-16-10(2)18-21-15/h9,12-13H,4-8H2,1-3H3/t12-,13-/m1/s1
InChIKeyWMJPTZADOGNKRB-CHWSQXEVSA-N
XLogP2.75
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129001016
[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 128966490
5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128965007
5-[(2R,4R)-4-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128968587
5-[(2R,4S)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129005669
5-[(2R,4R)-1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128967494
5-[(2R,4R)-4-methoxy-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129429473
2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
CID 146153702
5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 167951118
5-fluoro-2-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129005678
(2S)-1-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenoxypropan-2-ol
CID 129336869
2-[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 128965645

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 128971436) is 5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is CCCc1nc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cs1.
What is the InChIKey of 5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is WMJPTZADOGNKRB-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-4-5-14-17-11(9-22-14)7-19-8-12(20-3)6-13(19)15-16-10(2)18-21-15/h9,12-13H,4-8H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 322.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 128971436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).