1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone

C24H34N4O4 — CID 11282177

IUPAC1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone
SMILESCC(C)(COCc1ccccc1)NCC(=O)N1CCCC1C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C24H34N4O4/c1-23(2,3)22-27-26-21(32-22)20(30)18-12-9-13-28(18)19(29)14-25-24(4,5)16-31-15-17-10-7-6-8-11-17/h6-8,10-11,18,25H,9,12-16H2,1-5H3
InChIKeyKGFHSFMUUYXVEE-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.13
Rot. Bonds9

About 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone

1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone (PubChem CID 11282177) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone
PubChem CID11282177
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone
SMILESCC(C)(COCc1ccccc1)NCC(=O)N1CCCC1C(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C24H34N4O4/c1-23(2,3)22-27-26-21(32-22)20(30)18-12-9-13-28(18)19(29)14-25-24(4,5)16-31-15-17-10-7-6-8-11-17/h6-8,10-11,18,25H,9,12-16H2,1-5H3
InChIKeyKGFHSFMUUYXVEE-UHFFFAOYSA-N
XLogP3.13
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone with MolForge

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Related Compounds

1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone
CID 11417536
2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone
CID 11209540
benzyl N-[2-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 138750839
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 122133029
1-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124844383
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 124844930
benzyl 1-[2-(tert-butylamino)-2-oxoacetyl]pyrrolidine-2-carboxylate
CID 139619480
benzyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate
CID 23278389
benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130
benzyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 68762366
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone?
The IUPAC name of 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone (CID 11282177) is 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone.
What is the SMILES notation for 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone?
The canonical SMILES for 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone is CC(C)(COCc1ccccc1)NCC(=O)N1CCCC1C(=O)c1nnc(C(C)(C)C)o1.
What is the InChIKey of 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone?
The InChIKey is KGFHSFMUUYXVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-23(2,3)22-27-26-21(32-22)20(30)18-12-9-13-28(18)19(29)14-25-24(4,5)16-31-15-17-10-7-6-8-11-17/h6-8,10-11,18,25H,9,12-16H2,1-5H3.
What are the key properties of 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone?
1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone has a molecular weight of 442.56 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone is sourced from PubChem (CID 11282177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).