[3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

C20H24FN3O3 — CID 166618161

IUPAC[3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C[C@@H]2CN(C(=O)C3(Cc4ccccc4F)CNC3)C[C@H]2O)on1
InChIInChI=1S/C20H24FN3O3/c1-13-6-16(27-23-13)7-15-9-24(10-18(15)25)19(26)20(11-22-12-20)8-14-4-2-3-5-17(14)21/h2-6,15,18,22,25H,7-12H2,1H3/t15-,18-/m1/s1
InChIKeyQYEVQYJSPKPWQS-CRAIPNDOSA-N
MW373.43 g/mol
LogP1.32
Rot. Bonds5

About [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

[3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 166618161) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID166618161
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name[3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C[C@@H]2CN(C(=O)C3(Cc4ccccc4F)CNC3)C[C@H]2O)on1
InChIInChI=1S/C20H24FN3O3/c1-13-6-16(27-23-13)7-15-9-24(10-18(15)25)19(26)20(11-22-12-20)8-14-4-2-3-5-17(14)21/h2-6,15,18,22,25H,7-12H2,1H3/t15-,18-/m1/s1
InChIKeyQYEVQYJSPKPWQS-CRAIPNDOSA-N
XLogP1.32
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 135087941
(2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134699567
(5-chloro-2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134708385
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 135111792
1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 135114259
2-amino-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 135111947
2-(4-aminophenyl)-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 154915507
(5-chloro-2-methylphenyl)-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134698089
(5-fluoro-3-pyridinyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 135120323
2-[[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 134709981
(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 135118591
2-amino-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 154915545

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone (CID 166618161) is [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C[C@@H]2CN(C(=O)C3(Cc4ccccc4F)CNC3)C[C@H]2O)on1.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is QYEVQYJSPKPWQS-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-13-6-16(27-23-13)7-15-9-24(10-18(15)25)19(26)20(11-22-12-20)8-14-4-2-3-5-17(14)21/h2-6,15,18,22,25H,7-12H2,1H3/t15-,18-/m1/s1.
What are the key properties of [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone?
[3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 373.43 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]azetidin-3-yl]-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166618161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).