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

C19H30N4O4 — CID 11211142

IUPAC1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone
SMILESCC(C)(C)c1nc(C(=O)C2CCCN2C(=O)CNC2(CO)CCCC2)no1
InChIInChI=1S/C19H30N4O4/c1-18(2,3)17-21-16(22-27-17)15(26)13-7-6-10-23(13)14(25)11-20-19(12-24)8-4-5-9-19/h13,20,24H,4-12H2,1-3H3
InChIKeyXRBLGYUGTAUNNR-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.44
Rot. Bonds6

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

1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone (PubChem CID 11211142) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone.

Molecular Properties

Compound Name1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone
PubChem CID11211142
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone
SMILESCC(C)(C)c1nc(C(=O)C2CCCN2C(=O)CNC2(CO)CCCC2)no1
InChIInChI=1S/C19H30N4O4/c1-18(2,3)17-21-16(22-27-17)15(26)13-7-6-10-23(13)14(25)11-20-19(12-24)8-4-5-9-19/h13,20,24H,4-12H2,1-3H3
InChIKeyXRBLGYUGTAUNNR-UHFFFAOYSA-N
XLogP1.44
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-[2-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone
CID 11209540
2-(1-adamantylamino)-1-[2-(3-methyl-1,2,4-oxadiazole-5-carbonyl)pyrrolidin-1-yl]ethanone
CID 11462914
1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 85349252
5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CID 19786334
(2S)-1-[2-[[1-(hydroxymethyl)cyclohexyl]amino]acetyl]azetidine-2-carbonitrile
CID 142851419
2-bromo-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]ethanone
CID 142672803
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
potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride
CID 175462514
(2R,5S)-5-ethynyl-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 90087639
tert-butyl 2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 110632769
(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 95772040
1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethanone
CID 11417536

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone?
The IUPAC name of 1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone (CID 11211142) is 1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone.
What is the SMILES notation for 1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone?
The canonical SMILES for 1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone is CC(C)(C)c1nc(C(=O)C2CCCN2C(=O)CNC2(CO)CCCC2)no1.
What is the InChIKey of 1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone?
The InChIKey is XRBLGYUGTAUNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-18(2,3)17-21-16(22-27-17)15(26)13-7-6-10-23(13)14(25)11-20-19(12-24)8-4-5-9-19/h13,20,24H,4-12H2,1-3H3.
What are the key properties of 1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone?
1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone has a molecular weight of 378.47 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidin-1-yl]-2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanone is sourced from PubChem (CID 11211142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).