2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole

C16H23N5O — CID 75615616

IUPAC2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
SMILESCn1cncc1-c1nnc(C2CCN(C3CCCCC3)C2)o1
InChIInChI=1S/C16H23N5O/c1-20-11-17-9-14(20)16-19-18-15(22-16)12-7-8-21(10-12)13-5-3-2-4-6-13/h9,11-13H,2-8,10H2,1H3
InChIKeyHROOYQOCGFXYJX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.59
Rot. Bonds3

About 2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole

2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole (PubChem CID 75615616) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
PubChem CID75615616
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
SMILESCn1cncc1-c1nnc(C2CCN(C3CCCCC3)C2)o1
InChIInChI=1S/C16H23N5O/c1-20-11-17-9-14(20)16-19-18-15(22-16)12-7-8-21(10-12)13-5-3-2-4-6-13/h9,11-13H,2-8,10H2,1H3
InChIKeyHROOYQOCGFXYJX-UHFFFAOYSA-N
XLogP2.59
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole (CID 75615616) is 2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole is Cn1cncc1-c1nnc(C2CCN(C3CCCCC3)C2)o1.
What is the InChIKey of 2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is HROOYQOCGFXYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20-11-17-9-14(20)16-19-18-15(22-16)12-7-8-21(10-12)13-5-3-2-4-6-13/h9,11-13H,2-8,10H2,1H3.
What are the key properties of 2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole?
2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 75615616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).