(5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C20H24F3N3O3 — CID 162561511

IUPAC(5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCOCC(C)(C)c1cc(NC[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C20H24F3N3O3/c1-19(2,12-28-3)16-10-17(25-29-16)24-11-15-8-9-18(27)26(15)14-6-4-13(5-7-14)20(21,22)23/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,24,25)/t15-/m0/s1
InChIKeyOVSCCVVMYVGCSW-HNNXBMFYSA-N
MW411.42 g/mol
LogP4.22
Rot. Bonds7

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

(5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 162561511) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is (5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID162561511
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC Name(5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCOCC(C)(C)c1cc(NC[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C20H24F3N3O3/c1-19(2,12-28-3)16-10-17(25-29-16)24-11-15-8-9-18(27)26(15)14-6-4-13(5-7-14)20(21,22)23/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,24,25)/t15-/m0/s1
InChIKeyOVSCCVVMYVGCSW-HNNXBMFYSA-N
XLogP4.22
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

(2S)-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 70876170
5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 67953096
(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953379
(2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953420
N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide
CID 67953667
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953414
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide
CID 89054318
2-(cyclopropylmethylsulfonyl)-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 59267923
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953391
2-cyclopentylsulfonyl-N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 56603435
N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 77437826
(5S)-5-ethyl-1-[4-isocyano-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 159859184

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 162561511) is (5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is COCC(C)(C)c1cc(NC[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of (5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is OVSCCVVMYVGCSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c1-19(2,12-28-3)16-10-17(25-29-16)24-11-15-8-9-18(27)26(15)14-6-4-13(5-7-14)20(21,22)23/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,24,25)/t15-/m0/s1.
What are the key properties of (5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 411.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 162561511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).