2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone

C18H21ClN2O2 — CID 110614026

IUPAC2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCCN1C(=O)Cc1nc(-c2ccccc2Cl)oc1C
InChIInChI=1S/C18H21ClN2O2/c1-3-13-7-6-10-21(13)17(22)11-16-12(2)23-18(20-16)14-8-4-5-9-15(14)19/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3
InChIKeyCISBFWAQLOZWBA-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.25
Rot. Bonds4

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

2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone (PubChem CID 110614026) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone
PubChem CID110614026
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCCN1C(=O)Cc1nc(-c2ccccc2Cl)oc1C
InChIInChI=1S/C18H21ClN2O2/c1-3-13-7-6-10-21(13)17(22)11-16-12(2)23-18(20-16)14-8-4-5-9-15(14)19/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3
InChIKeyCISBFWAQLOZWBA-UHFFFAOYSA-N
XLogP4.25
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110633137
1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 97002467
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
2-[(2S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-2-yl]acetamide
CID 95296870
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 138381218
ethyl 1-[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylate
CID 110673618
N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 70784562
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119650306
(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
CID 95872425
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone (CID 110614026) is 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone is CCC1CCCN1C(=O)Cc1nc(-c2ccccc2Cl)oc1C.
What is the InChIKey of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone?
The InChIKey is CISBFWAQLOZWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-13-7-6-10-21(13)17(22)11-16-12(2)23-18(20-16)14-8-4-5-9-15(14)19/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone?
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone has a molecular weight of 332.83 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 110614026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).