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

C15H20N6O2 — CID 129344537

IUPACN-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1cncc1CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C15H20N6O2/c1-20-9-16-7-11(20)8-21-6-2-3-12(21)15-18-13(19-23-15)14(22)17-10-4-5-10/h7,9-10,12H,2-6,8H2,1H3,(H,17,22)/t12-/m1/s1
InChIKeyZSMMESKOBSBTNV-GFCCVEGCSA-N
MW316.37 g/mol
LogP1.03
Rot. Bonds5

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

N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129344537) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID129344537
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1cncc1CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C15H20N6O2/c1-20-9-16-7-11(20)8-21-6-2-3-12(21)15-18-13(19-23-15)14(22)17-10-4-5-10/h7,9-10,12H,2-6,8H2,1H3,(H,17,22)/t12-/m1/s1
InChIKeyZSMMESKOBSBTNV-GFCCVEGCSA-N
XLogP1.03
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.03
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-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129001579
5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129335596
N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129339660
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
N-cyclopropyl-5-[(2S)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129338909
N-cyclopropyl-5-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129003726

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129344537) is N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is Cn1cncc1CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1.
What is the InChIKey of N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZSMMESKOBSBTNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-20-9-16-7-11(20)8-21-6-2-3-12(21)15-18-13(19-23-15)14(22)17-10-4-5-10/h7,9-10,12H,2-6,8H2,1H3,(H,17,22)/t12-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129344537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).