5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

C17H22N2O2 — CID 95056201

IUPAC5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCCOc1ccccc1CN1CCC[C@H]1c1cc(C)no1
InChIInChI=1S/C17H22N2O2/c1-3-20-16-9-5-4-7-14(16)12-19-10-6-8-15(19)17-11-13(2)18-21-17/h4-5,7,9,11,15H,3,6,8,10,12H2,1-2H3/t15-/m0/s1
InChIKeyAMBALUACOSHJJT-HNNXBMFYSA-N
MW286.38 g/mol
LogP3.72
Rot. Bonds5

About 5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 95056201) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID95056201
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCCOc1ccccc1CN1CCC[C@H]1c1cc(C)no1
InChIInChI=1S/C17H22N2O2/c1-3-20-16-9-5-4-7-14(16)12-19-10-6-8-15(19)17-11-13(2)18-21-17/h4-5,7,9,11,15H,3,6,8,10,12H2,1-2H3/t15-/m0/s1
InChIKeyAMBALUACOSHJJT-HNNXBMFYSA-N
XLogP3.72
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53034979
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
3-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732441
3-[(2R)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732440
2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 95079416
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
5-[(2S)-1-[(2-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584502
5-[(2R)-1-[(3-ethoxy-4-propoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 93070186
5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056207
2-ethoxy-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 50809609
3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079512
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 92554036

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 95056201) is 5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is CCOc1ccccc1CN1CCC[C@H]1c1cc(C)no1.
What is the InChIKey of 5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is AMBALUACOSHJJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-20-16-9-5-4-7-14(16)12-19-10-6-8-15(19)17-11-13(2)18-21-17/h4-5,7,9,11,15H,3,6,8,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 286.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95056201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).