N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide

C23H31N3O4 — CID 168726921

IUPACN-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCC(C(=O)N1CC(O)CC1C(=O)NCc1ccccc1)c1cc(C(C)(C)C)no1
InChIInChI=1S/C23H31N3O4/c1-5-17(19-12-20(25-30-19)23(2,3)4)22(29)26-14-16(27)11-18(26)21(28)24-13-15-9-7-6-8-10-15/h6-10,12,16-18,27H,5,11,13-14H2,1-4H3,(H,24,28)
InChIKeyBWFZCEXMZNYMAH-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.74
Rot. Bonds6

About N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide

N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 168726921) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID168726921
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCC(C(=O)N1CC(O)CC1C(=O)NCc1ccccc1)c1cc(C(C)(C)C)no1
InChIInChI=1S/C23H31N3O4/c1-5-17(19-12-20(25-30-19)23(2,3)4)22(29)26-14-16(27)11-18(26)21(28)24-13-15-9-7-6-8-10-15/h6-10,12,16-18,27H,5,11,13-14H2,1-4H3,(H,24,28)
InChIKeyBWFZCEXMZNYMAH-UHFFFAOYSA-N
XLogP2.74
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-2-cyclobutylacetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 168727109
(2S,4R)-4-hydroxy-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122529065
(2S,4R)-1-[(2R)-2-acetamido-3,3-dimethylbutanoyl]-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 177375259
2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]butan-1-one
CID 157186647
(2R,4R)-2-N-benzyl-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443674
(2S,4R)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 167606332
(2S,4R)-4-hydroxy-1-[(2R)-2-[3-[[(3R,5S)-1-[2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]propanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 167181199
(2R,4R)-1-acetyl-4-hydroxy-N-[[4-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 136581459
ethane;4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 145262141
(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122423079
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122423081
(2S,4S)-1-[(2S)-2-ethyl-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 157298407

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide (CID 168726921) is N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide is CCC(C(=O)N1CC(O)CC1C(=O)NCc1ccccc1)c1cc(C(C)(C)C)no1.
What is the InChIKey of N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is BWFZCEXMZNYMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-5-17(19-12-20(25-30-19)23(2,3)4)22(29)26-14-16(27)11-18(26)21(28)24-13-15-9-7-6-8-10-15/h6-10,12,16-18,27H,5,11,13-14H2,1-4H3,(H,24,28).
What are the key properties of N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide?
N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(3-tert-butyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 168726921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).