4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C18H24N2O2 — CID 124789164

IUPAC4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCO[C@@H]1CCN(Cc2c(C)noc2C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-13-16(14(2)22-19-13)12-20-10-9-18(21-3)17(20)11-15-7-5-4-6-8-15/h4-8,17-18H,9-12H2,1-3H3/t17-,18-/m1/s1
InChIKeyHHVKDQIUHULYPR-QZTJIDSGSA-N
MW300.40 g/mol
LogP3.12
Rot. Bonds5

About 4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 124789164) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID124789164
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCO[C@@H]1CCN(Cc2c(C)noc2C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H24N2O2/c1-13-16(14(2)22-19-13)12-20-10-9-18(21-3)17(20)11-15-7-5-4-6-8-15/h4-8,17-18H,9-12H2,1-3H3/t17-,18-/m1/s1
InChIKeyHHVKDQIUHULYPR-QZTJIDSGSA-N
XLogP3.12
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S,3S)-2-benzyl-3-(2-methoxyethoxy)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155848482
4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124793779
4-[[(2S,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97470218
4-[[(4S,4aS,7aS)-4-methoxy-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97421686
4-[[(4R,4aR,7aR)-4-methoxy-6-(pyridin-4-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124790842
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788281
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide
CID 124811052
4-[(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 75461514
4-[[(2S,3R)-3-methoxy-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridine
CID 97470361
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine
CID 124792317
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556
[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 97470449

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 124789164) is 4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is CO[C@@H]1CCN(Cc2c(C)noc2C)[C@@H]1Cc1ccccc1.
What is the InChIKey of 4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HHVKDQIUHULYPR-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-16(14(2)22-19-13)12-20-10-9-18(21-3)17(20)11-15-7-5-4-6-8-15/h4-8,17-18H,9-12H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of 4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 300.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 124789164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).