[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C16H18N2O3 — CID 124835252

IUPAC[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC[C@@H](O)[C@H]1Cc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-11-13(10-17-21-11)16(20)18-8-7-15(19)14(18)9-12-5-3-2-4-6-12/h2-6,10,14-15,19H,7-9H2,1H3/t14-,15-/m1/s1
InChIKeyNYFKDYVODJTUNX-HUUCEWRRSA-N
MW286.33 g/mol
LogP1.80
Rot. Bonds3

About [(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 124835252) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID124835252
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC[C@@H](O)[C@H]1Cc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-11-13(10-17-21-11)16(20)18-8-7-15(19)14(18)9-12-5-3-2-4-6-12/h2-6,10,14-15,19H,7-9H2,1H3/t14-,15-/m1/s1
InChIKeyNYFKDYVODJTUNX-HUUCEWRRSA-N
XLogP1.80
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131688110
[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 131688216
(2-fluorophenyl)-[(2S,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97391924
[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 97470449
2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68600353
1-[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131688189
[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 171673279
[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 124806862
[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97470175
1-[(2R,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 124821384
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97470521
methyl (2R)-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 113330671

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 124835252) is [(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CC[C@@H](O)[C@H]1Cc1ccccc1.
What is the InChIKey of [(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is NYFKDYVODJTUNX-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-13(10-17-21-11)16(20)18-8-7-15(19)14(18)9-12-5-3-2-4-6-12/h2-6,10,14-15,19H,7-9H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 124835252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).