(3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid

C16H23F3N4O4 — CID 166279011

IUPAC(3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)[C@@H]1C[C@H](Nc2nc(C3CCC3)no2)C(=O)N1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O2.C2HF3O2/c1-14(2,3)10-7-9(12(19)16-10)15-13-17-11(18-20-13)8-5-4-6-8;3-2(4,5)1(6)7/h8-10H,4-7H2,1-3H3,(H,16,19)(H,15,17,18);(H,6,7)/t9-,10-;/m0./s1
InChIKeyDCNLTLGJOZPINZ-IYPAPVHQSA-N
MW392.38 g/mol
LogP2.69
Rot. Bonds3

About (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid

(3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 166279011) has the molecular formula C16H23F3N4O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID166279011
Molecular FormulaC16H23F3N4O4
Molecular Weight392.38 g/mol
Exact Mass392.17
IUPAC Name(3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)[C@@H]1C[C@H](Nc2nc(C3CCC3)no2)C(=O)N1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O2.C2HF3O2/c1-14(2,3)10-7-9(12(19)16-10)15-13-17-11(18-20-13)8-5-4-6-8;3-2(4,5)1(6)7/h8-10H,4-7H2,1-3H3,(H,16,19)(H,15,17,18);(H,6,7)/t9-,10-;/m0./s1
InChIKeyDCNLTLGJOZPINZ-IYPAPVHQSA-N
XLogP2.69
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(1S,3S,5S)-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]bicyclo[3.1.0]hexane-1-carboxylic acid
CID 166258923
3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine
CID 64985459
2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 64982392
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid
CID 83831304
N,3-dicyclopropyl-1,2,4-oxadiazol-5-amine
CID 62594867
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62595230
(3-cyclohexyl-1,2,4-oxadiazol-5-yl)hydrazine
CID 62596343
3-cyclononyl-5-(1,1-difluoroethyl)-1,2,4-oxadiazole
CID 167237870
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
3-cyclopropyl-N-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-amine
CID 130927334
3-tert-butyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 69256891
3-cyclopropyl-5-[5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 86665502

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 166279011) is (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid is CC(C)(C)[C@@H]1C[C@H](Nc2nc(C3CCC3)no2)C(=O)N1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is DCNLTLGJOZPINZ-IYPAPVHQSA-N. The full InChI is InChI=1S/C14H22N4O2.C2HF3O2/c1-14(2,3)10-7-9(12(19)16-10)15-13-17-11(18-20-13)8-5-4-6-8;3-2(4,5)1(6)7/h8-10H,4-7H2,1-3H3,(H,16,19)(H,15,17,18);(H,6,7)/t9-,10-;/m0./s1.
What are the key properties of (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
(3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 392.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-tert-butyl-3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166279011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).