2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone

C18H21ClN2O2 — CID 92731870

IUPAC2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCCCc1cc([C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)no1
InChIInChI=1S/C18H21ClN2O2/c1-2-5-15-12-16(20-23-15)17-8-4-9-21(17)18(22)11-13-6-3-7-14(19)10-13/h3,6-7,10,12,17H,2,4-5,8-9,11H2,1H3/t17-/m0/s1
InChIKeyBKGHLBDDESANFF-KRWDZBQOSA-N
MW332.83 g/mol
LogP4.19
Rot. Bonds5

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

2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 92731870) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID92731870
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCCCc1cc([C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)no1
InChIInChI=1S/C18H21ClN2O2/c1-2-5-15-12-16(20-23-15)17-8-4-9-21(17)18(22)11-13-6-3-7-14(19)10-13/h3,6-7,10,12,17H,2,4-5,8-9,11H2,1H3/t17-/m0/s1
InChIKeyBKGHLBDDESANFF-KRWDZBQOSA-N
XLogP4.19
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 22586744
(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070304
2-(3,4-dimethoxyphenyl)-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 22586753
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893503
(4-chloro-1-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586726
(2S)-N-(2,3-dimethylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079611
2-(3-chlorophenyl)-1-[(2R)-2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 136860499
(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586742
ethyl 2-[4-[[(2R)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]phenyl]acetate
CID 92732729
3-[3-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid
CID 70105442
(2R)-N-cyclohexyl-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070289
(2S)-N-[(4-fluorophenyl)methyl]-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95056305

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (CID 92731870) is 2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is CCCc1cc([C@@H]2CCCN2C(=O)Cc2cccc(Cl)c2)no1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is BKGHLBDDESANFF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-2-5-15-12-16(20-23-15)17-8-4-9-21(17)18(22)11-13-6-3-7-14(19)10-13/h3,6-7,10,12,17H,2,4-5,8-9,11H2,1H3/t17-/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 332.83 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92731870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).