1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide

C13H22N4O2 — CID 47377182

IUPAC1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCCCc1nc(CN2CCCC2C(=O)NC)no1
InChIInChI=1S/C13H22N4O2/c1-3-4-7-12-15-11(16-19-12)9-17-8-5-6-10(17)13(18)14-2/h10H,3-9H2,1-2H3,(H,14,18)
InChIKeyAYONZKHSBTVDNK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.12
Rot. Bonds6

About 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide

1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 47377182) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID47377182
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCCCc1nc(CN2CCCC2C(=O)NC)no1
InChIInChI=1S/C13H22N4O2/c1-3-4-7-12-15-11(16-19-12)9-17-8-5-6-10(17)13(18)14-2/h10H,3-9H2,1-2H3,(H,14,18)
InChIKeyAYONZKHSBTVDNK-UHFFFAOYSA-N
XLogP1.12
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 61495823
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55852788
[1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanol
CID 110903092
tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80999649
(2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 95298703
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
(2R)-1-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 99816776
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120752679
methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate
CID 79832899
1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909685
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62021392

Frequently Asked Questions

What is the IUPAC name of 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 47377182) is 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CCCCc1nc(CN2CCCC2C(=O)NC)no1.
What is the InChIKey of 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is AYONZKHSBTVDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-4-7-12-15-11(16-19-12)9-17-8-5-6-10(17)13(18)14-2/h10H,3-9H2,1-2H3,(H,14,18).
What are the key properties of 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47377182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).