N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide

C16H25FN4O4 — CID 166372225

IUPACN-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide
SMILESCCc1noc(CCC(=O)N2CC(O)(CCNC(=O)CCCF)C2)n1
InChIInChI=1S/C16H25FN4O4/c1-2-12-19-14(25-20-12)5-6-15(23)21-10-16(24,11-21)7-9-18-13(22)4-3-8-17/h24H,2-11H2,1H3,(H,18,22)
InChIKeyYGHRMGVIKBURPN-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.39
Rot. Bonds10

About N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide

N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide (PubChem CID 166372225) has the molecular formula C16H25FN4O4 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide.

Molecular Properties

Compound NameN-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide
PubChem CID166372225
Molecular FormulaC16H25FN4O4
Molecular Weight356.40 g/mol
Exact Mass356.19
IUPAC NameN-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide
SMILESCCc1noc(CCC(=O)N2CC(O)(CCNC(=O)CCCF)C2)n1
InChIInChI=1S/C16H25FN4O4/c1-2-12-19-14(25-20-12)5-6-15(23)21-10-16(24,11-21)7-9-18-13(22)4-3-8-17/h24H,2-11H2,1H3,(H,18,22)
InChIKeyYGHRMGVIKBURPN-UHFFFAOYSA-N
XLogP0.39
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 110098062
N-[2-(ethylamino)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119508746
N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119448539
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110248469
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110124261
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one
CID 55835212
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(piperidine-1-carbonyl)morpholin-4-yl]propan-1-one
CID 110246379
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 55830826
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62372529
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55853602

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide?
The IUPAC name of N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide (CID 166372225) is N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide.
What is the SMILES notation for N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide?
The canonical SMILES for N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide is CCc1noc(CCC(=O)N2CC(O)(CCNC(=O)CCCF)C2)n1.
What is the InChIKey of N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide?
The InChIKey is YGHRMGVIKBURPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O4/c1-2-12-19-14(25-20-12)5-6-15(23)21-10-16(24,11-21)7-9-18-13(22)4-3-8-17/h24H,2-11H2,1H3,(H,18,22).
What are the key properties of N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide?
N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide has a molecular weight of 356.40 g/mol, XLogP of 0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]-3-hydroxyazetidin-3-yl]ethyl]-4-fluorobutanamide is sourced from PubChem (CID 166372225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).