5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C18H26N6O2 — CID 129335596

IUPAC5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)n1cc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)cn1
InChIInChI=1S/C18H26N6O2/c1-18(2,3)24-11-12(9-19-24)10-23-8-4-5-14(23)17-21-15(22-26-17)16(25)20-13-6-7-13/h9,11,13-14H,4-8,10H2,1-3H3,(H,20,25)/t14-/m1/s1
InChIKeyIYCGPPVTNMWAEQ-CQSZACIVSA-N
MW358.45 g/mol
LogP2.25
Rot. Bonds5

About 5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129335596) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID129335596
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)n1cc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)cn1
InChIInChI=1S/C18H26N6O2/c1-18(2,3)24-11-12(9-19-24)10-23-8-4-5-14(23)17-21-15(22-26-17)16(25)20-13-6-7-13/h9,11,13-14H,4-8,10H2,1-3H3,(H,20,25)/t14-/m1/s1
InChIKeyIYCGPPVTNMWAEQ-CQSZACIVSA-N
XLogP2.25
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129001579
N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129338292
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-[(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-(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
N-cyclopropyl-5-[(2S)-1-[(6-ethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129342811
5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129334901
N-cyclopropyl-5-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129003726
5-[1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129002469

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 129335596) is 5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)n1cc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)cn1.
What is the InChIKey of 5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IYCGPPVTNMWAEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-18(2,3)24-11-12(9-19-24)10-23-8-4-5-14(23)17-21-15(22-26-17)16(25)20-13-6-7-13/h9,11,13-14H,4-8,10H2,1-3H3,(H,20,25)/t14-/m1/s1.
What are the key properties of 5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129335596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).