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

C23H28F3N3O2 — CID 25293471

IUPAC1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCCC[C@H]1CCN1CCCC1=O
InChIInChI=1S/C23H28F3N3O2/c1-16-20(27-22(31-16)17-7-9-18(10-8-17)23(24,25)26)15-29-12-3-2-5-19(29)11-14-28-13-4-6-21(28)30/h7-10,19H,2-6,11-15H2,1H3/t19-/m0/s1
InChIKeyLPHUPCZQCFWKLK-IBGZPJMESA-N
MW435.49 g/mol
LogP5.04
Rot. Bonds6

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

1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 25293471) has the molecular formula C23H28F3N3O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID25293471
Molecular FormulaC23H28F3N3O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC Name1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCCC[C@H]1CCN1CCCC1=O
InChIInChI=1S/C23H28F3N3O2/c1-16-20(27-22(31-16)17-7-9-18(10-8-17)23(24,25)26)15-29-12-3-2-5-19(29)11-14-28-13-4-6-21(28)30/h7-10,19H,2-6,11-15H2,1H3/t19-/m0/s1
InChIKeyLPHUPCZQCFWKLK-IBGZPJMESA-N
XLogP5.04
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 45214821
methyl (2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25452915
1-[2-[(2S)-1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 95718632
methyl 4-[5-methyl-4-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]benzoate
CID 26336255
2-(furan-3-yl)-5-methyl-4-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 45194451
4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 42287451
2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 45200824
2-(4-chlorophenyl)-4-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25295435
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967217
ethyl 2-[(2R)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42557347
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-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 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) is 1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCCC[C@H]1CCN1CCCC1=O.
What is the InChIKey of 1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is LPHUPCZQCFWKLK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28F3N3O2/c1-16-20(27-22(31-16)17-7-9-18(10-8-17)23(24,25)26)15-29-12-3-2-5-19(29)11-14-28-13-4-6-21(28)30/h7-10,19H,2-6,11-15H2,1H3/t19-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 435.49 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 25293471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).