3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole

C17H18N4O2 — CID 70760707

IUPAC3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(CCn3ccnc3C3CCOC3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-2-4-13(5-3-1)17-19-15(20-23-17)6-9-21-10-8-18-16(21)14-7-11-22-12-14/h1-5,8,10,14H,6-7,9,11-12H2
InChIKeyUCGYMUAIFWKJNV-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.68
Rot. Bonds5

About 3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole

3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 70760707) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID70760707
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(CCn3ccnc3C3CCOC3)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-2-4-13(5-3-1)17-19-15(20-23-17)6-9-21-10-8-18-16(21)14-7-11-22-12-14/h1-5,8,10,14H,6-7,9,11-12H2
InChIKeyUCGYMUAIFWKJNV-UHFFFAOYSA-N
XLogP2.68
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine
CID 56867673
3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole
CID 53193142
5-(1-methyl-5-phenylpyrrol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72931350
5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455192
4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole
CID 56916869
5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 72839692
1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 131901257
2-(2-phenylimidazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 72927386
N-(3-methylsulfanylphenyl)-4-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide
CID 3716311
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole
CID 50953113
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole (CID 70760707) is 3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole is c1ccc(-c2nc(CCn3ccnc3C3CCOC3)no2)cc1.
What is the InChIKey of 3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is UCGYMUAIFWKJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-4-13(5-3-1)17-19-15(20-23-17)6-9-21-10-8-18-16(21)14-7-11-22-12-14/h1-5,8,10,14H,6-7,9,11-12H2.
What are the key properties of 3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole?
3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 310.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 70760707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).