1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

C20H25N3O4 — CID 142573222

IUPAC1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)C(C(=O)N1CC(O)CC1C(N)=O)c1cc(Cc2ccccc2)no1
InChIInChI=1S/C20H25N3O4/c1-12(2)18(20(26)23-11-15(24)10-16(23)19(21)25)17-9-14(22-27-17)8-13-6-4-3-5-7-13/h3-7,9,12,15-16,18,24H,8,10-11H2,1-2H3,(H2,21,25)
InChIKeyOFSQYIDXEJAFMV-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 142573222) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID142573222
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)C(C(=O)N1CC(O)CC1C(N)=O)c1cc(Cc2ccccc2)no1
InChIInChI=1S/C20H25N3O4/c1-12(2)18(20(26)23-11-15(24)10-16(23)19(21)25)17-9-14(22-27-17)8-13-6-4-3-5-7-13/h3-7,9,12,15-16,18,24H,8,10-11H2,1-2H3,(H2,21,25)
InChIKeyOFSQYIDXEJAFMV-UHFFFAOYSA-N
XLogP1.45
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxylate
CID 142572951
benzyl (2S,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxylate
CID 170212077
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 170385857
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-propan-2-yl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 177281814
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 170386411
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-[3-[4-[[4-(3-methylcyclobutyl)oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]butanoyl]pyrrolidine-2-carboxamide
CID 168903234
methyl (2S,4R)-1-[2-[3-(2,2-diethoxyethoxy)-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 139546170
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60952757
(2S,4R)-N-[(4-chloro-2-methylphenyl)methyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CID 167097711
1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65227708
(2S,4R)-N-[(1S)-1-(4-bromophenyl)-3-(methylamino)-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CID 155533526

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide (CID 142573222) is 1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide is CC(C)C(C(=O)N1CC(O)CC1C(N)=O)c1cc(Cc2ccccc2)no1.
What is the InChIKey of 1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is OFSQYIDXEJAFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12(2)18(20(26)23-11-15(24)10-16(23)19(21)25)17-9-14(22-27-17)8-13-6-4-3-5-7-13/h3-7,9,12,15-16,18,24H,8,10-11H2,1-2H3,(H2,21,25).
What are the key properties of 1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 142573222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).