2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole

C14H19N3OS — CID 124799322

IUPAC2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2C[C@H](c3ccsc3)C[C@H]2C)o1
InChIInChI=1S/C14H19N3OS/c1-3-13-15-16-14(18-13)8-17-7-12(6-10(17)2)11-4-5-19-9-11/h4-5,9-10,12H,3,6-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyOILNIDJAEWZAIL-ZYHUDNBSSA-N
MW277.39 g/mol
LogP3.07
Rot. Bonds4

About 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole

2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 124799322) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID124799322
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2C[C@H](c3ccsc3)C[C@H]2C)o1
InChIInChI=1S/C14H19N3OS/c1-3-13-15-16-14(18-13)8-17-7-12(6-10(17)2)11-4-5-19-9-11/h4-5,9-10,12H,3,6-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyOILNIDJAEWZAIL-ZYHUDNBSSA-N
XLogP3.07
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole 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

N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 95981640
2-methyl-5-[[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95632842
1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 95981641
5-ethyl-3-[[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95773457
5-ethyl-3-[[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95773456
2-ethyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 82756029
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129393605
2-(4-chlorophenyl)-5-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47055868
(3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129480227
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272
3-(difluoromethyl)-6-[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99849473
2,5-diethyl-1,3,4-oxadiazole
CID 11029848

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 124799322) is 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is CCc1nnc(CN2C[C@H](c3ccsc3)C[C@H]2C)o1.
What is the InChIKey of 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is OILNIDJAEWZAIL-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-13-15-16-14(18-13)8-17-7-12(6-10(17)2)11-4-5-19-9-11/h4-5,9-10,12H,3,6-8H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 277.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 124799322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).