N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide

C15H20FN5O2 — CID 128991690

IUPACN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)Cn2cccn2)on1
InChIInChI=1S/C15H20FN5O2/c1-11-5-14(23-19-11)9-20-8-12(16)6-13(20)7-17-15(22)10-21-4-2-3-18-21/h2-5,12-13H,6-10H2,1H3,(H,17,22)/t12-,13-/m0/s1
InChIKeyBEUFWKUXHNRGKN-STQMWFEESA-N
MW321.36 g/mol
LogP0.91
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide

N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide (PubChem CID 128991690) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide
PubChem CID128991690
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)Cn2cccn2)on1
InChIInChI=1S/C15H20FN5O2/c1-11-5-14(23-19-11)9-20-8-12(16)6-13(20)7-17-15(22)10-21-4-2-3-18-21/h2-5,12-13H,6-10H2,1H3,(H,17,22)/t12-,13-/m0/s1
InChIKeyBEUFWKUXHNRGKN-STQMWFEESA-N
XLogP0.91
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129332335
5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide
CID 128993381
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 128990917
3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 128973857
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 154737127
5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide
CID 128974033
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 128994900
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 128994444
[3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 128994779
N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
CID 128991326
2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide
CID 128994494

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide (CID 128991690) is N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide is Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)Cn2cccn2)on1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is BEUFWKUXHNRGKN-STQMWFEESA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-11-5-14(23-19-11)9-20-8-12(16)6-13(20)7-17-15(22)10-21-4-2-3-18-21/h2-5,12-13H,6-10H2,1H3,(H,17,22)/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide?
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 321.36 g/mol, XLogP of 0.91, 6 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-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 128991690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).