1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

C17H19ClN2O3 — CID 125020215

IUPAC1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H19ClN2O3/c1-22-11-16(21)20-8-2-3-15(20)17-19-10-14(23-17)9-12-4-6-13(18)7-5-12/h4-7,10,15H,2-3,8-9,11H2,1H3/t15-/m0/s1
InChIKeyYBIJUYCFOGXNQG-HNNXBMFYSA-N
MW334.80 g/mol
LogP3.23
Rot. Bonds5

About 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 125020215) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID125020215
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H19ClN2O3/c1-22-11-16(21)20-8-2-3-15(20)17-19-10-14(23-17)9-12-4-6-13(18)7-5-12/h4-7,10,15H,2-3,8-9,11H2,1H3/t15-/m0/s1
InChIKeyYBIJUYCFOGXNQG-HNNXBMFYSA-N
XLogP3.23
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 124955389
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 124969633
1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 124949491
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 155983766
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 125010492
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110121023
1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 124992183
[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124987887
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125006601
[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124986148
1-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 124980046
[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124973012

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone (CID 125020215) is 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is YBIJUYCFOGXNQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-22-11-16(21)20-8-2-3-15(20)17-19-10-14(23-17)9-12-4-6-13(18)7-5-12/h4-7,10,15H,2-3,8-9,11H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 334.80 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 125020215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).