[(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol

C11H17FN2O2 — CID 128986747

IUPAC[(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CO)oc1C
InChIInChI=1S/C11H17FN2O2/c1-7-8(2)16-11(13-7)5-14-4-9(12)3-10(14)6-15/h9-10,15H,3-6H2,1-2H3/t9-,10-/m0/s1
InChIKeyLJENMXVQOOLPNQ-UWVGGRQHSA-N
MW228.27 g/mol
LogP1.20
Rot. Bonds3

About [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128986747) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128986747
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name[(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CO)oc1C
InChIInChI=1S/C11H17FN2O2/c1-7-8(2)16-11(13-7)5-14-4-9(12)3-10(14)6-15/h9-10,15H,3-6H2,1-2H3/t9-,10-/m0/s1
InChIKeyLJENMXVQOOLPNQ-UWVGGRQHSA-N
XLogP1.20
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol with MolForge

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Related Compounds

(2,5-dimethyl-1,3-oxazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 136582247
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856794
2-[2,2-Difluoroethyl-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
CID 107485170
1-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112327004
[(2S,4S)-1-[(dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030866
{1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl}methanamine
CID 122199403
[(2R,4R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 124709284
[(2R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 124709285
[(2S,4R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 124709286
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 133660864
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
CID 47520510
[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
CID 47523985

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol (CID 128986747) is [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol is Cc1nc(CN2C[C@@H](F)C[C@H]2CO)oc1C.
What is the InChIKey of [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is LJENMXVQOOLPNQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-7-8(2)16-11(13-7)5-14-4-9(12)3-10(14)6-15/h9-10,15H,3-6H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 228.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128986747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).