3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

C16H26N4O4 — CID 110098062

IUPAC3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCc1noc(CCC(=O)N2CCC(O)(CN3CCOCC3)C2)n1
InChIInChI=1S/C16H26N4O4/c1-2-13-17-14(24-18-13)3-4-15(21)20-6-5-16(22,12-20)11-19-7-9-23-10-8-19/h22H,2-12H2,1H3
InChIKeyFKIKSSQJPNMKAE-UHFFFAOYSA-N
MW338.41 g/mol
LogP-0.14
Rot. Bonds6

About 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110098062) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID110098062
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCc1noc(CCC(=O)N2CCC(O)(CN3CCOCC3)C2)n1
InChIInChI=1S/C16H26N4O4/c1-2-13-17-14(24-18-13)3-4-15(21)20-6-5-16(22,12-20)11-19-7-9-23-10-8-19/h22H,2-12H2,1H3
InChIKeyFKIKSSQJPNMKAE-UHFFFAOYSA-N
XLogP-0.14
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 124965559
4-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 124977540
(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 125001962
1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125017033
(4-ethylthiadiazol-5-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124948128
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110098043
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007709
N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide
CID 166372225
1-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 72929155
1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 125013810
2-cyclopentyl-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007806
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(piperidine-1-carbonyl)morpholin-4-yl]propan-1-one
CID 110246379

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one (CID 110098062) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one is CCc1noc(CCC(=O)N2CCC(O)(CN3CCOCC3)C2)n1.
What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is FKIKSSQJPNMKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-2-13-17-14(24-18-13)3-4-15(21)20-6-5-16(22,12-20)11-19-7-9-23-10-8-19/h22H,2-12H2,1H3.
What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one?
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 338.41 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110098062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).