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

C22H28ClN3O2 — CID 45214821

IUPAC1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C22H28ClN3O2/c1-16-20(24-22(28-16)17-6-4-7-18(23)14-17)15-26-11-3-2-8-19(26)10-13-25-12-5-9-21(25)27/h4,6-7,14,19H,2-3,5,8-13,15H2,1H3
InChIKeyHUSJKCBYSCEOFR-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.67
Rot. Bonds6

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

1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 45214821) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID45214821
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCCCC1CCN1CCCC1=O
InChIInChI=1S/C22H28ClN3O2/c1-16-20(24-22(28-16)17-6-4-7-18(23)14-17)15-26-11-3-2-8-19(26)10-13-25-12-5-9-21(25)27/h4,6-7,14,19H,2-3,5,8-13,15H2,1H3
InChIKeyHUSJKCBYSCEOFR-UHFFFAOYSA-N
XLogP4.67
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 25293471
1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 26319404
1-[[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 56760356
1-[2-[(2S)-1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 95718632
2-(furan-3-yl)-5-methyl-4-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 45194451
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
2-(4-chlorophenyl)-4-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25295435
1-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70783740
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967217
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 45200824
1-[2-[1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967218

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 45214821) is 1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCCC1CCN1CCCC1=O.
What is the InChIKey of 1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is HUSJKCBYSCEOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-16-20(24-22(28-16)17-6-4-7-18(23)14-17)15-26-11-3-2-8-19(26)10-13-25-12-5-9-21(25)27/h4,6-7,14,19H,2-3,5,8-13,15H2,1H3.
What are the key properties of 1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 401.94 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45214821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).