5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C8H12N4O3 — CID 106812946

IUPAC5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc([C@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C8H12N4O3/c1-9-7(14)6-11-8(15-12-6)5-2-4(13)3-10-5/h4-5,10,13H,2-3H2,1H3,(H,9,14)/t4-,5+/m0/s1
InChIKeyKGLCMYSAVYCMAJ-CRCLSJGQSA-N
MW212.21 g/mol
LogP-1.18
Rot. Bonds2

About 5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 106812946) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID106812946
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc([C@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C8H12N4O3/c1-9-7(14)6-11-8(15-12-6)5-2-4(13)3-10-5/h4-5,10,13H,2-3H2,1H3,(H,9,14)/t4-,5+/m0/s1
InChIKeyKGLCMYSAVYCMAJ-CRCLSJGQSA-N
XLogP-1.18
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-(4-hydroxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102791161
(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002
5-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107925124
(3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912535
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790727
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379
5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631759

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 106812946) is 5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc([C@H]2C[C@H](O)CN2)n1.
What is the InChIKey of 5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KGLCMYSAVYCMAJ-CRCLSJGQSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-9-7(14)6-11-8(15-12-6)5-2-4(13)3-10-5/h4-5,10,13H,2-3H2,1H3,(H,9,14)/t4-,5+/m0/s1.
What are the key properties of 5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 106812946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).