N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C13H16N6O2S — CID 129338292

IUPACN-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc([C@H]2CCCN2Cc2csnn2)n1
InChIInChI=1S/C13H16N6O2S/c20-12(14-8-3-4-8)11-15-13(21-17-11)10-2-1-5-19(10)6-9-7-22-18-16-9/h7-8,10H,1-6H2,(H,14,20)/t10-/m1/s1
InChIKeyMWNHUNLOAWLGRC-SNVBAGLBSA-N
MW320.38 g/mol
LogP1.15
Rot. Bonds5

About N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129338292) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID129338292
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC NameN-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc([C@H]2CCCN2Cc2csnn2)n1
InChIInChI=1S/C13H16N6O2S/c20-12(14-8-3-4-8)11-15-13(21-17-11)10-2-1-5-19(10)6-9-7-22-18-16-9/h7-8,10H,1-6H2,(H,14,20)/t10-/m1/s1
InChIKeyMWNHUNLOAWLGRC-SNVBAGLBSA-N
XLogP1.15
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129001579
N-cyclopropyl-5-[(2R)-1-[(6-propan-2-yl-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129331466
N-cyclopropyl-5-[(2S)-1-[(6-ethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129342811
N-cyclopropyl-5-[(2S)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344538
N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344537
N-cyclopropyl-5-[(2S)-1-(oxan-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129330909
N-cyclopropyl-5-[(2S)-1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129337095
5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129335596
5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129002469
5-[(2R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129331176
N-cyclopropyl-5-[(2S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129332759
N-cyclopropyl-5-[(2S)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129338909

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129338292) is N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2csnn2)n1.
What is the InChIKey of N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is MWNHUNLOAWLGRC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N6O2S/c20-12(14-8-3-4-8)11-15-13(21-17-11)10-2-1-5-19(10)6-9-7-22-18-16-9/h7-8,10H,1-6H2,(H,14,20)/t10-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129338292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).