2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

C17H19ClN2O2 — CID 50809054

IUPAC2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1cc(C2CCCN2C(=O)Cc2ccc(Cl)cc2)on1
InChIInChI=1S/C17H19ClN2O2/c1-2-14-11-16(22-19-14)15-4-3-9-20(15)17(21)10-12-5-7-13(18)8-6-12/h5-8,11,15H,2-4,9-10H2,1H3
InChIKeyNQWQHVJMSFVIKT-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.80
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 50809054) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID50809054
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCCc1cc(C2CCCN2C(=O)Cc2ccc(Cl)cc2)on1
InChIInChI=1S/C17H19ClN2O2/c1-2-14-11-16(22-19-14)15-4-3-9-20(15)17(21)10-12-5-7-13(18)8-6-12/h5-8,11,15H,2-4,9-10H2,1H3
InChIKeyNQWQHVJMSFVIKT-UHFFFAOYSA-N
XLogP3.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 92893660
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 92731961
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92731941
(2R)-2-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95079867
2-(4-chlorophenyl)-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]ethanone
CID 86952955
N-(2-chlorophenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53096422
2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50945289
2-(4-ethoxyphenyl)-1-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92893795
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731895
1,3-benzodioxol-5-yl-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809243
2-(1,3-benzodioxol-5-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56817847
N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001152

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (CID 50809054) is 2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is CCc1cc(C2CCCN2C(=O)Cc2ccc(Cl)cc2)on1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is NQWQHVJMSFVIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-14-11-16(22-19-14)15-4-3-9-20(15)17(21)10-12-5-7-13(18)8-6-12/h5-8,11,15H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 318.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50809054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).