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

C16H22N6O2 — CID 129339660

IUPACN-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc([C@H]2CCCN2CCCn2ccnc2)n1
InChIInChI=1S/C16H22N6O2/c23-15(18-12-4-5-12)14-19-16(24-20-14)13-3-1-8-22(13)9-2-7-21-10-6-17-11-21/h6,10-13H,1-5,7-9H2,(H,18,23)/t13-/m1/s1
InChIKeyOWVBIYQJKJXMTM-CYBMUJFWSA-N
MW330.39 g/mol
LogP1.39
Rot. Bonds7

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

N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129339660) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID129339660
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc([C@H]2CCCN2CCCn2ccnc2)n1
InChIInChI=1S/C16H22N6O2/c23-15(18-12-4-5-12)14-19-16(24-20-14)13-3-1-8-22(13)9-2-7-21-10-6-17-11-21/h6,10-13H,1-5,7-9H2,(H,18,23)/t13-/m1/s1
InChIKeyOWVBIYQJKJXMTM-CYBMUJFWSA-N
XLogP1.39
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[(2S)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344366
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-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129341144
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
N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129007591
N-cyclopropyl-5-[(2S)-1-(oxan-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129330909
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-[(2R)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129341797
N-cyclopropyl-5-[(2R)-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129338292

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129339660) is N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc([C@H]2CCCN2CCCn2ccnc2)n1.
What is the InChIKey of N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OWVBIYQJKJXMTM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N6O2/c23-15(18-12-4-5-12)14-19-16(24-20-14)13-3-1-8-22(13)9-2-7-21-10-6-17-11-21/h6,10-13H,1-5,7-9H2,(H,18,23)/t13-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.39, 7 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-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129339660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).