[3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol

C16H26FN3O3 — CID 128994779

IUPAC[3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)CC2(CO)COC2)on1
InChIInChI=1S/C16H26FN3O3/c1-12-3-15(23-18-12)7-20-5-13(17)4-14(20)6-19(2)8-16(9-21)10-22-11-16/h3,13-14,21H,4-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyGXFSGPOBIYUHKZ-KBPBESRZSA-N
MW327.40 g/mol
LogP0.84
Rot. Bonds7

About [3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol

[3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 128994779) has the molecular formula C16H26FN3O3 and a molecular weight of 327.40 g/mol. Its IUPAC name is [3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
PubChem CID128994779
Molecular FormulaC16H26FN3O3
Molecular Weight327.40 g/mol
Exact Mass327.20
IUPAC Name[3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)CC2(CO)COC2)on1
InChIInChI=1S/C16H26FN3O3/c1-12-3-15(23-18-12)7-20-5-13(17)4-14(20)6-19(2)8-16(9-21)10-22-11-16/h3,13-14,21H,4-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyGXFSGPOBIYUHKZ-KBPBESRZSA-N
XLogP0.84
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol with MolForge

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Related Compounds

[3-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 128974310
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine
CID 128994794
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
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)-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
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 128990917
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide
CID 128991690
(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
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788285
[(2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128986720
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409

Frequently Asked Questions

What is the IUPAC name of [3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [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) is [3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol is Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)CC2(CO)COC2)on1.
What is the InChIKey of [3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is GXFSGPOBIYUHKZ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26FN3O3/c1-12-3-15(23-18-12)7-20-5-13(17)4-14(20)6-19(2)8-16(9-21)10-22-11-16/h3,13-14,21H,4-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol?
[3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 327.40 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 128994779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).