N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C12H16N6O2 — CID 104971367

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H16N6O2/c19-11(16-5-3-9-14-6-7-15-9)10-17-12(20-18-10)8-2-1-4-13-8/h6-8,13H,1-5H2,(H,14,15)(H,16,19)
InChIKeyHZSDVDNXERYQHD-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.19
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104971367) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104971367
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1noc(C2CCCN2)n1
InChIInChI=1S/C12H16N6O2/c19-11(16-5-3-9-14-6-7-15-9)10-17-12(20-18-10)8-2-1-4-13-8/h6-8,13H,1-5H2,(H,14,15)(H,16,19)
InChIKeyHZSDVDNXERYQHD-UHFFFAOYSA-N
XLogP0.19
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148
N-(2-pyridin-2-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971284
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
5-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)-1,2,4-oxadiazole-3-carboxamide
CID 104970819
N-[1-(1H-imidazol-2-yl)propyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742554
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-[2-(methanesulfonamido)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970863
N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742533
N-[2-(ethylsulfamoyl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971124
N-(3-pyrazol-1-ylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970911
N-(3-methylsulfinylpropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971125
N-(pyridazin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 106895984

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104971367) is N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is O=C(NCCc1ncc[nH]1)c1noc(C2CCCN2)n1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is HZSDVDNXERYQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c19-11(16-5-3-9-14-6-7-15-9)10-17-12(20-18-10)8-2-1-4-13-8/h6-8,13H,1-5H2,(H,14,15)(H,16,19).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104971367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).