2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

C16H24N4O2S — CID 146153702

IUPAC2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
SMILESCO[C@H]1C[C@H](c2nnc(C)o2)N(Cc2csc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H24N4O2S/c1-10-18-19-14(22-10)13-6-12(21-5)8-20(13)7-11-9-23-15(17-11)16(2,3)4/h9,12-13H,6-8H2,1-5H3/t12-,13+/m0/s1
InChIKeySBLLVUVTWBCORH-QWHCGFSZSA-N
MW336.46 g/mol
LogP3.09
Rot. Bonds4

About 2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 146153702) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID146153702
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
SMILESCO[C@H]1C[C@H](c2nnc(C)o2)N(Cc2csc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H24N4O2S/c1-10-18-19-14(22-10)13-6-12(21-5)8-20(13)7-11-9-23-15(17-11)16(2,3)4/h9,12-13H,6-8H2,1-5H3/t12-,13+/m0/s1
InChIKeySBLLVUVTWBCORH-QWHCGFSZSA-N
XLogP3.09
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
3-[3-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 146153704
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
2-tert-butyl-4-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 38082765
2-(1,3-dioxolan-2-yl)-1-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 155949724
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052628
cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 166228710
2-[(3S)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
CID 96997094
methyl (2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 79833729
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-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966405
[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62040964

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 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) is 2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole is CO[C@H]1C[C@H](c2nnc(C)o2)N(Cc2csc(C(C)(C)C)n2)C1.
What is the InChIKey of 2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is SBLLVUVTWBCORH-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-10-18-19-14(22-10)13-6-12(21-5)8-20(13)7-11-9-23-15(17-11)16(2,3)4/h9,12-13H,6-8H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of 2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole?
2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 336.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 146153702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).