1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone

C14H20F2N4O3 — CID 124050979

IUPAC1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCCC1=NN=C(O1)[C@@H]2CC(CN2C(=O)CN3CCOCC3)(F)F
InChIInChI=1S/C14H20F2N4O3/c1-2-11-17-18-13(23-11)10-7-14(15,16)9-20(10)12(21)8-19-3-5-22-6-4-19/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyCIYNLVOALNTYRJ-JTQLQIEISA-N
MW330.33 g/mol
LogP0.40
Rot. Bonds4

About 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone

1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 124050979) has the molecular formula C14H20F2N4O3 and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID124050979
Molecular FormulaC14H20F2N4O3
Molecular Weight330.33 g/mol
Exact Mass330.15
IUPAC Name1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCCC1=NN=C(O1)[C@@H]2CC(CN2C(=O)CN3CCOCC3)(F)F
InChIInChI=1S/C14H20F2N4O3/c1-2-11-17-18-13(23-11)10-7-14(15,16)9-20(10)12(21)8-19-3-5-22-6-4-19/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyCIYNLVOALNTYRJ-JTQLQIEISA-N
XLogP0.40
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity434

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

cyclopropyl-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]methanone
CID 124050949
2-cyclopropyl-5-[(2S)-4,4-difluoro-1-(oxan-4-yl)pyrrolidin-2-yl]-1,3,4-oxadiazole
CID 124050984
(2,6-Dimethylpiperidin-1-yl)-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 75399816
1-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-L-prolyl}piperidine
CID 118791657
2-[(2S)-4,4-difluoro-1-(oxan-4-yl)pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole
CID 124050953
(2S,4R)-4-fluoro-2-[5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylic acid
CID 126623790
tert-butyl (2S,4R)-4-fluoro-2-[5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
CID 135178903
1-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657871
1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657882
2,2,2-Trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110395602
2,2,2-Trifluoro-1-[2-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110395780
2,2,2-Trifluoro-1-[2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110396059

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone (CID 124050979) is 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone is CCC1=NN=C(O1)[C@@H]2CC(CN2C(=O)CN3CCOCC3)(F)F.
What is the InChIKey of 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is CIYNLVOALNTYRJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20F2N4O3/c1-2-11-17-18-13(23-11)10-7-14(15,16)9-20(10)12(21)8-19-3-5-22-6-4-19/h10H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone?
1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 330.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 124050979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).