5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

C13H17N3O2S — CID 129001016

IUPAC5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccsc2)C1
InChIInChI=1S/C13H17N3O2S/c1-9-14-13(18-15-9)12-5-11(17-2)7-16(12)6-10-3-4-19-8-10/h3-4,8,11-12H,5-7H2,1-2H3/t11-,12+/m0/s1
InChIKeyCBOMGXPYDZFLJW-NWDGAFQWSA-N
MW279.37 g/mol
LogP2.40
Rot. Bonds4

About 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129001016) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129001016
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccsc2)C1
InChIInChI=1S/C13H17N3O2S/c1-9-14-13(18-15-9)12-5-11(17-2)7-16(12)6-10-3-4-19-8-10/h3-4,8,11-12H,5-7H2,1-2H3/t11-,12+/m0/s1
InChIKeyCBOMGXPYDZFLJW-NWDGAFQWSA-N
XLogP2.40
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 128966490
5-[(2R,4R)-4-methoxy-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966405
5-[(2R,4R)-4-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128968587
5-[(2R,4R)-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966068
5-[(2R,4R)-4-methoxy-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128993270
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
5-[(2R,4R)-1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128967494
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-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129429473
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-(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

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 129001016) is 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccsc2)C1.
What is the InChIKey of 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is CBOMGXPYDZFLJW-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-14-13(18-15-9)12-5-11(17-2)7-16(12)6-10-3-4-19-8-10/h3-4,8,11-12H,5-7H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 279.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129001016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).