N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide

C15H23FN4O3 — CID 129336581

IUPACN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2CCCCO2)o1
InChIInChI=1S/C15H23FN4O3/c1-10-18-19-15(23-10)20-9-11(16)6-12(20)8-17-14(21)7-13-4-2-3-5-22-13/h11-13H,2-9H2,1H3,(H,17,21)/t11-,12-,13-/m0/s1
InChIKeyKMHUHGCCQXFVBN-AVGNSLFASA-N
MW326.37 g/mol
LogP1.37
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide

N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide (PubChem CID 129336581) has the molecular formula C15H23FN4O3 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide
PubChem CID129336581
Molecular FormulaC15H23FN4O3
Molecular Weight326.37 g/mol
Exact Mass326.18
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide
SMILESCc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2CCCCO2)o1
InChIInChI=1S/C15H23FN4O3/c1-10-18-19-15(23-10)20-9-11(16)6-12(20)8-17-14(21)7-13-4-2-3-5-22-13/h11-13H,2-9H2,1H3,(H,17,21)/t11-,12-,13-/m0/s1
InChIKeyKMHUHGCCQXFVBN-AVGNSLFASA-N
XLogP1.37
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide
CID 129335827
1-(2-ethoxyethyl)-3-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]urea
CID 128974797
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110610747
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 128990957
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(oxan-2-yl)acetamide
CID 110627459
N-[(2-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 65159597
(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide
CID 129346080
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide
CID 129330753
N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114312160
N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[(2R)-oxan-2-yl]acetamide
CID 97051361
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide (CID 129336581) is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide is Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2CCCCO2)o1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide?
The InChIKey is KMHUHGCCQXFVBN-AVGNSLFASA-N. The full InChI is InChI=1S/C15H23FN4O3/c1-10-18-19-15(23-10)20-9-11(16)6-12(20)8-17-14(21)7-13-4-2-3-5-22-13/h11-13H,2-9H2,1H3,(H,17,21)/t11-,12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide?
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide has a molecular weight of 326.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-[(2S)-oxan-2-yl]acetamide is sourced from PubChem (CID 129336581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).